4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C16H17N5OS — CID 162670417

IUPAC4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)s1
InChIInChI=1S/C16H17N5OS/c1-12-11-18-15(23-12)19-16(22)21-7-5-20(6-8-21)14-4-2-3-13(9-14)10-17/h2-4,9,11H,5-8H2,1H3,(H,18,19,22)
InChIKeyNUNNMIMNHBQAKZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.68
Rot. Bonds2

About 4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 162670417) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID162670417
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)s1
InChIInChI=1S/C16H17N5OS/c1-12-11-18-15(23-12)19-16(22)21-7-5-20(6-8-21)14-4-2-3-13(9-14)10-17/h2-4,9,11H,5-8H2,1H3,(H,18,19,22)
InChIKeyNUNNMIMNHBQAKZ-UHFFFAOYSA-N
XLogP2.68
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-Thiazol-2-yl)pyridin-2-amine 15
CID 5329328
N-(1,3-Thiazol-2-yl)pyridin-2-amine 18
CID 5329331
N-(1,3-Thiazol-2-yl)pyridin-2-amine 19
CID 5329332
4-(2-(5-Cyanothiazol-2-ylamino)pyridin-4-ylmethyl)piperazine-1-carboxylic acid methylamide
CID 5329333
N-(1,3-Thiazol-2-yl)pyridin-2-amine 23
CID 5329336
1-[5-[3-(Dimethylamino)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907664
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71657337
1-Benzyl-1-methyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405776
4-(3-chloro-4-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420088
4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420119
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420120
4-(4-chloro-3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420130

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 162670417) is 4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1cnc(NC(=O)N2CCN(c3cccc(C#N)c3)CC2)s1.
What is the InChIKey of 4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is NUNNMIMNHBQAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-12-11-18-15(23-12)19-16(22)21-7-5-20(6-8-21)14-4-2-3-13(9-14)10-17/h2-4,9,11H,5-8H2,1H3,(H,18,19,22).
What are the key properties of 4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 162670417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).