(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide

C7H11N3OS — CID 59361268

IUPAC(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C7H11N3OS/c1-5(8-2)6(11)10-7-9-3-4-12-7/h3-5,8H,1-2H3,(H,9,10,11)/t5-/m0/s1
InChIKeyNOOPTEXDJRRPSZ-YFKPBYRVSA-N
MW185.25 g/mol
LogP0.69
Rot. Bonds3

About (2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59361268) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59361268
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1nccs1
InChIInChI=1S/C7H11N3OS/c1-5(8-2)6(11)10-7-9-3-4-12-7/h3-5,8H,1-2H3,(H,9,10,11)/t5-/m0/s1
InChIKeyNOOPTEXDJRRPSZ-YFKPBYRVSA-N
XLogP0.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 3613699
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
2-(2,3-dimethylanilino)-N-(1,3-thiazol-2-yl)propanamide
CID 25247027
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 2232967
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide (CID 59361268) is (2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide is CN[C@@H](C)C(=O)Nc1nccs1.
What is the InChIKey of (2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is NOOPTEXDJRRPSZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5(8-2)6(11)10-7-9-3-4-12-7/h3-5,8H,1-2H3,(H,9,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 185.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59361268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).