4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole

C25H17N13S3 — CID 141368941

IUPAC4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole
SMILESc1c[nH]c(C2=C(c3csnn3)N(c3ccsn3)C(c3cn[nH]n3)(c3nccs3)C(c3ccn[nH]3)=C2c2ncc[nH]2)c1
InChIInChI=1S/C25H17N13S3/c1-2-14(26-5-1)19-20(23-27-7-8-28-23)21(15-3-6-30-32-15)25(17-12-31-36-34-17,24-29-9-11-39-24)38(18-4-10-40-35-18)22(19)16-13-41-37-33-16/h1-13,26H,(H,27,28)(H,30,32)(H,31,34,36)
InChIKeyDCGCSXZYTYAUKG-UHFFFAOYSA-N
MW595.70 g/mol
LogP4.29
Rot. Bonds7

About 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole

4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole (PubChem CID 141368941) has the molecular formula C25H17N13S3 and a molecular weight of 595.70 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole.

Molecular Properties

Compound Name4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole
PubChem CID141368941
Molecular FormulaC25H17N13S3
Molecular Weight595.70 g/mol
Exact Mass595.09
IUPAC Name4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole
SMILESc1c[nH]c(C2=C(c3csnn3)N(c3ccsn3)C(c3cn[nH]n3)(c3nccs3)C(c3ccn[nH]3)=C2c2ncc[nH]2)c1
InChIInChI=1S/C25H17N13S3/c1-2-14(26-5-1)19-20(23-27-7-8-28-23)21(15-3-6-30-32-15)25(17-12-31-36-34-17,24-29-9-11-39-24)38(18-4-10-40-35-18)22(19)16-13-41-37-33-16/h1-13,26H,(H,27,28)(H,30,32)(H,31,34,36)
InChIKeyDCGCSXZYTYAUKG-UHFFFAOYSA-N
XLogP4.29
TPSA169.52 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.70
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole with MolForge

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Related Compounds

N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(1,3-thiazol-2-ylmethyl)-1,2-thiazol-5-amine
CID 145971147
3-[4-[4-(1,3-Thiazol-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]propanenitrile
CID 164614939
4-[(4-fluoro-1H-pyrazol-5-yl)methyl]-7-methyl-10-[(1-methylpyrazol-3-yl)methyl]-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene
CID 170031149
4-(1-methyl-1H-pyrazol-4-yl)-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 56721119
6-{3-[5-(1H-Tetrazol-5-yl)-thiophen-2-yl]-1H-pyrazol-4-yl}-3-thiazol-2-yl-imidazo[1,2-a]pyridine dihydrochloride
CID 22031102
2-[6-[5-[5-(2H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22031103
5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile
CID 22032109
2-[6-[5-[5-(2,3-dihydro-1H-tetrazol-5-yl)thiophen-2-yl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 23537403
N-[6-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
CID 25094208
6-methyl-7-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole
CID 46847950
6-methyl-7-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole
CID 46865631
7-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-6-methylpyrazolo[5,1-b][1,3]thiazole
CID 58094765

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole?
The IUPAC name of 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole (CID 141368941) is 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole.
What is the SMILES notation for 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole?
The canonical SMILES for 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole is c1c[nH]c(C2=C(c3csnn3)N(c3ccsn3)C(c3cn[nH]n3)(c3nccs3)C(c3ccn[nH]3)=C2c2ncc[nH]2)c1.
What is the InChIKey of 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole?
The InChIKey is DCGCSXZYTYAUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N13S3/c1-2-14(26-5-1)19-20(23-27-7-8-28-23)21(15-3-6-30-32-15)25(17-12-31-36-34-17,24-29-9-11-39-24)38(18-4-10-40-35-18)22(19)16-13-41-37-33-16/h1-13,26H,(H,27,28)(H,30,32)(H,31,34,36).
What are the key properties of 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole?
4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole has a molecular weight of 595.70 g/mol, XLogP of 4.29, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-6-(2H-triazol-4-yl)-2-pyridinyl]thiadiazole is sourced from PubChem (CID 141368941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).