2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole

C13H13N11S — CID 140994222

IUPAC2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole
SMILESc1c[nH]c(-c2c(N3CCNC3)nn(-c3nn[nH]n3)c2-c2nccs2)n1
InChIInChI=1S/C13H13N11S/c1-2-16-10(15-1)8-9(12-17-4-6-25-12)24(13-18-21-22-19-13)20-11(8)23-5-3-14-7-23/h1-2,4,6,14H,3,5,7H2,(H,15,16)(H,18,19,21,22)
InChIKeyCGLHUOIYMACRGQ-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.27
Rot. Bonds4

About 2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole

2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole (PubChem CID 140994222) has the molecular formula C13H13N11S and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole
PubChem CID140994222
Molecular FormulaC13H13N11S
Molecular Weight355.39 g/mol
Exact Mass355.11
IUPAC Name2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole
SMILESc1c[nH]c(-c2c(N3CCNC3)nn(-c3nn[nH]n3)c2-c2nccs2)n1
InChIInChI=1S/C13H13N11S/c1-2-16-10(15-1)8-9(12-17-4-6-25-12)24(13-18-21-22-19-13)20-11(8)23-5-3-14-7-23/h1-2,4,6,14H,3,5,7H2,(H,15,16)(H,18,19,21,22)
InChIKeyCGLHUOIYMACRGQ-UHFFFAOYSA-N
XLogP0.27
TPSA129.12 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[4-(1H-imidazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
CID 140978061
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-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 157074534
2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;3-methyl-1,2,4-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 157936459
2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole
CID 159494040
2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 160219348
N-(1H-imidazol-2-ylmethyl)-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72895620

Frequently Asked Questions

What is the IUPAC name of 2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole (CID 140994222) is 2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole is c1c[nH]c(-c2c(N3CCNC3)nn(-c3nn[nH]n3)c2-c2nccs2)n1.
What is the InChIKey of 2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole?
The InChIKey is CGLHUOIYMACRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N11S/c1-2-16-10(15-1)8-9(12-17-4-6-25-12)24(13-18-21-22-19-13)20-11(8)23-5-3-14-7-23/h1-2,4,6,14H,3,5,7H2,(H,15,16)(H,18,19,21,22).
What are the key properties of 2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole?
2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole has a molecular weight of 355.39 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-imidazolidin-1-yl-4-(1H-imidazol-2-yl)-1-(2H-tetrazol-5-yl)pyrazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 140994222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).