(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide

C9H14N2OS — CID 7302765

IUPAC(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCC[C@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C9H14N2OS/c1-3-4-7(2)8(12)11-9-10-5-6-13-9/h5-7H,3-4H2,1-2H3,(H,10,11,12)/t7-/m0/s1
InChIKeyXJGWFWWSYYFTAK-ZETCQYMHSA-N
MW198.29 g/mol
LogP2.52
Rot. Bonds4

About (2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide

(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 7302765) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID7302765
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCCC[C@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C9H14N2OS/c1-3-4-7(2)8(12)11-9-10-5-6-13-9/h5-7H,3-4H2,1-2H3,(H,10,11,12)/t7-/m0/s1
InChIKeyXJGWFWWSYYFTAK-ZETCQYMHSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17358961
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 2932790
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110476504
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of (2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide (CID 7302765) is (2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for (2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide is CCC[C@H](C)C(=O)Nc1nccs1.
What is the InChIKey of (2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is XJGWFWWSYYFTAK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-4-7(2)8(12)11-9-10-5-6-13-9/h5-7H,3-4H2,1-2H3,(H,10,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide?
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 198.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 7302765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).