(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide

C11H15N3OS — CID 164639869

IUPAC(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide
SMILESCCCC[C@H](C)C(=O)Nc1ncc(C#N)s1
InChIInChI=1S/C11H15N3OS/c1-3-4-5-8(2)10(15)14-11-13-7-9(6-12)16-11/h7-8H,3-5H2,1-2H3,(H,13,14,15)/t8-/m0/s1
InChIKeyQCEHECVUPJRIMV-QMMMGPOBSA-N
MW237.33 g/mol
LogP2.78
Rot. Bonds5

About (2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide

(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide (PubChem CID 164639869) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide.

Molecular Properties

Compound Name(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide
PubChem CID164639869
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide
SMILESCCCC[C@H](C)C(=O)Nc1ncc(C#N)s1
InChIInChI=1S/C11H15N3OS/c1-3-4-5-8(2)10(15)14-11-13-7-9(6-12)16-11/h7-8H,3-5H2,1-2H3,(H,13,14,15)/t8-/m0/s1
InChIKeyQCEHECVUPJRIMV-QMMMGPOBSA-N
XLogP2.78
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 90603621
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032
1-tert-butyl-3-(5-cyano-1,3-thiazol-2-yl)urea
CID 90603690
(2S)-2-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)-3,3-dimethylbutanamide
CID 46226290
N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 90603554
4-(butylamino)-N-(5-cyano-1,3-thiazol-2-yl)-2-phenylbenzamide
CID 166872979
5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 90603525
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2-methyl-N-pyridazin-4-ylhexanamide
CID 154864675
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
N-(5-cyano-1,3-thiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 90603616
(2R)-2-ethyl-N-(5-nitro-1,3-thiazol-2-yl)hexanamide
CID 7260906

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide?
The IUPAC name of (2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide (CID 164639869) is (2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide.
What is the SMILES notation for (2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide?
The canonical SMILES for (2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide is CCCC[C@H](C)C(=O)Nc1ncc(C#N)s1.
What is the InChIKey of (2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide?
The InChIKey is QCEHECVUPJRIMV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-4-5-8(2)10(15)14-11-13-7-9(6-12)16-11/h7-8H,3-5H2,1-2H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide?
(2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide has a molecular weight of 237.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-cyano-1,3-thiazol-2-yl)-2-methylhexanamide is sourced from PubChem (CID 164639869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).