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

C17H23N5OS — CID 56792744

IUPAC2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2cccnc2NC2CCCC2)s1
InChIInChI=1S/C17H23N5OS/c1-11(2)10-14-21-22-17(24-14)20-16(23)13-8-5-9-18-15(13)19-12-6-3-4-7-12/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,18,19)(H,20,22,23)
InChIKeyVMEJSOBAGVDRKZ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.74
Rot. Bonds6

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

2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 56792744) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
PubChem CID56792744
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2cccnc2NC2CCCC2)s1
InChIInChI=1S/C17H23N5OS/c1-11(2)10-14-21-22-17(24-14)20-16(23)13-8-5-9-18-15(13)19-12-6-3-4-7-12/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,18,19)(H,20,22,23)
InChIKeyVMEJSOBAGVDRKZ-UHFFFAOYSA-N
XLogP3.74
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103871250
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 30257977
2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 102709910
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide
CID 30732694
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 42562478
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 110461380
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-imidazole-2-carboxamide
CID 110466560

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 56792744) is 2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is CC(C)Cc1nnc(NC(=O)c2cccnc2NC2CCCC2)s1.
What is the InChIKey of 2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is VMEJSOBAGVDRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11(2)10-14-21-22-17(24-14)20-16(23)13-8-5-9-18-15(13)19-12-6-3-4-7-12/h5,8-9,11-12H,3-4,6-7,10H2,1-2H3,(H,18,19)(H,20,22,23).
What are the key properties of 2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 56792744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).