4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole

C19H15N9S2 — CID 140993054

IUPAC4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1c[nH]c(S2(c3cccs3)C(c3cn[nH]n3)=NC(c3ncc[nH]3)=C2c2ccn[nH]2)c1
InChIInChI=1S/C19H15N9S2/c1-3-14(20-6-1)30(15-4-2-10-29-15)17(12-5-7-23-26-12)16(18-21-8-9-22-18)25-19(30)13-11-24-28-27-13/h1-11,20H,(H,21,22)(H,23,26)(H,24,27,28)
InChIKeyMQHUZHYWXUTLLM-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.85
Rot. Bonds5

About 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole

4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole (PubChem CID 140993054) has the molecular formula C19H15N9S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole
PubChem CID140993054
Molecular FormulaC19H15N9S2
Molecular Weight433.53 g/mol
Exact Mass433.09
IUPAC Name4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1c[nH]c(S2(c3cccs3)C(c3cn[nH]n3)=NC(c3ncc[nH]3)=C2c2ccn[nH]2)c1
InChIInChI=1S/C19H15N9S2/c1-3-14(20-6-1)30(15-4-2-10-29-15)17(12-5-7-23-26-12)16(18-21-8-9-22-18)25-19(30)13-11-24-28-27-13/h1-11,20H,(H,21,22)(H,23,26)(H,24,27,28)
InChIKeyMQHUZHYWXUTLLM-UHFFFAOYSA-N
XLogP3.85
TPSA127.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole with MolForge

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-4-[5-(1H-pyrazol-3-yl)-2-thienyl]-1H-1,2,3-triazole
CID 72900289
2-[4-(1H-pyrazol-5-yl)-1H-imidazol-5-yl]-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 136210790
2-[2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-6-pyridin-2-yl-1-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-5-yl]-1,3-thiazole
CID 141064117
4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1,3-thiazole
CID 141120903
2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)triazol-2-yl]-1,3-thiazole
CID 141121534
2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazolidin-2-yl]-1,3-thiazole
CID 141121729
2-[1-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)tetrazol-2-yl]-1,3-thiazole
CID 141121730
2-[1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1,3-benzothiazole
CID 141123569
2-[2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-1H-imidazol-5-yl]-1,3-thiazole
CID 141214750
1-(1H-imidazol-2-yl)-1,4-bis(1H-pyrazol-5-yl)-2,5-bis(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-3H-thiadiazole
CID 141294157
2-[4-(1H-imidazol-2-yl)-3-(1H-pyrazol-5-yl)-5-[5-(1H-pyrazol-5-yl)-2H-triazol-4-yl]-5-(1H-pyrrol-2-yl)-1-(1,2-thiazol-3-yl)tetrazolidin-2-yl]-1,3-thiazole
CID 141303191
4-[5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)triazolidin-2-yl]thiadiazole
CID 141328720

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole (CID 140993054) is 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole is c1c[nH]c(S2(c3cccs3)C(c3cn[nH]n3)=NC(c3ncc[nH]3)=C2c2ccn[nH]2)c1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole?
The InChIKey is MQHUZHYWXUTLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N9S2/c1-3-14(20-6-1)30(15-4-2-10-29-15)17(12-5-7-23-26-12)16(18-21-8-9-22-18)25-19(30)13-11-24-28-27-13/h1-11,20H,(H,21,22)(H,23,26)(H,24,27,28).
What are the key properties of 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole?
4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole has a molecular weight of 433.53 g/mol, XLogP of 3.85, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-2-(2H-triazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 140993054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).