3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide

C16H13ClN6OS — CID 91838300

IUPAC3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cn2ncsc2n1
InChIInChI=1S/C16H13ClN6OS/c1-9(14-7-23-16(20-14)25-8-18-23)19-15(24)13-6-12(21-22-13)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,19,24)(H,21,22)
InChIKeyYSKWHXREDTZXRA-UHFFFAOYSA-N
MW372.84 g/mol
LogP3.33
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 91838300) has the molecular formula C16H13ClN6OS and a molecular weight of 372.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID91838300
Molecular FormulaC16H13ClN6OS
Molecular Weight372.84 g/mol
Exact Mass372.06
IUPAC Name3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cn2ncsc2n1
InChIInChI=1S/C16H13ClN6OS/c1-9(14-7-23-16(20-14)25-8-18-23)19-15(24)13-6-12(21-22-13)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,19,24)(H,21,22)
InChIKeyYSKWHXREDTZXRA-UHFFFAOYSA-N
XLogP3.33
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97145627
3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 45030575
N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 97146678
3-(4-chlorophenyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19509481
3-(4-chlorophenyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 30298139
3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19509428
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide
CID 91765837
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 19509390
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513124
3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide (CID 91838300) is 3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide is CC(NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cn2ncsc2n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YSKWHXREDTZXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6OS/c1-9(14-7-23-16(20-14)25-8-18-23)19-15(24)13-6-12(21-22-13)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,19,24)(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 372.84 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91838300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).