1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

C16H16ClN5OS — CID 49156662

IUPAC1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2cnn(-c3ccccc3Cl)c2)s1
InChIInChI=1S/C16H16ClN5OS/c1-10(2)7-14-20-21-16(24-14)19-15(23)11-8-18-22(9-11)13-6-4-3-5-12(13)17/h3-6,8-10H,7H2,1-2H3,(H,19,21,23)
InChIKeyVHMMUNFHKWFJLI-UHFFFAOYSA-N
MW361.86 g/mol
LogP3.83
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 49156662) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
PubChem CID49156662
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2cnn(-c3ccccc3Cl)c2)s1
InChIInChI=1S/C16H16ClN5OS/c1-10(2)7-14-20-21-16(24-14)19-15(23)11-8-18-22(9-11)13-6-4-3-5-12(13)17/h3-6,8-10H,7H2,1-2H3,(H,19,21,23)
InChIKeyVHMMUNFHKWFJLI-UHFFFAOYSA-N
XLogP3.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 49162463
2-amino-6-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 106259550
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 134706002
2-chloro-N-[3-methyl-1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 51148569
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-methylsulfonylbenzamide
CID 31289416
1-benzyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 17473060
3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 16548056
3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51148570
5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 113233248
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 52513898
4-chloro-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 103803457
5-carbamothioyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 106261329

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide (CID 49156662) is 1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide is CC(C)Cc1nnc(NC(=O)c2cnn(-c3ccccc3Cl)c2)s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is VHMMUNFHKWFJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c1-10(2)7-14-20-21-16(24-14)19-15(23)11-8-18-22(9-11)13-6-4-3-5-12(13)17/h3-6,8-10H,7H2,1-2H3,(H,19,21,23).
What are the key properties of 1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 361.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 49156662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).