N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C17H19N3OS2 — CID 7837077

IUPACN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H19N3OS2/c1-12(2)17(3,11-18)20-15(21)10-23-16-19-14(9-22-16)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyKJOLAVRMDPULOB-KRWDZBQOSA-N
MW345.49 g/mol
LogP3.96
Rot. Bonds6

About N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 7837077) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID7837077
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC NameN-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H19N3OS2/c1-12(2)17(3,11-18)20-15(21)10-23-16-19-14(9-22-16)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyKJOLAVRMDPULOB-KRWDZBQOSA-N
XLogP3.96
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 60708935
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2469190
N-(2-cyano-3-methylbutan-2-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4006654
N-(1-methoxypropan-2-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18079402
N-(methylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3959134
N-(3-cyanophenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4799463
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 25343817
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 2617596
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 2650911
N-(1-cyanocyclopentyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4823077
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7608000
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 40569122

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 7837077) is N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is KJOLAVRMDPULOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3OS2/c1-12(2)17(3,11-18)20-15(21)10-23-16-19-14(9-22-16)13-7-5-4-6-8-13/h4-9,12H,10H2,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7837077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).