(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one

C7H10N2OS — CID 96631567

IUPAC(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1ncc(C(=O)[C@@H](C)N)s1
InChIInChI=1S/C7H10N2OS/c1-4(8)7(10)6-3-9-5(2)11-6/h3-4H,8H2,1-2H3/t4-/m1/s1
InChIKeyRNQRENVXDORSHF-SCSAIBSYSA-N
MW170.24 g/mol
LogP0.98
Rot. Bonds2

About (2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one

(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 96631567) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is (2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one
PubChem CID96631567
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1ncc(C(=O)[C@@H](C)N)s1
InChIInChI=1S/C7H10N2OS/c1-4(8)7(10)6-3-9-5(2)11-6/h3-4H,8H2,1-2H3/t4-/m1/s1
InChIKeyRNQRENVXDORSHF-SCSAIBSYSA-N
XLogP0.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 103790895
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide
CID 104919668
[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103805490
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 119527283
(3R)-3-amino-3-(2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 96749685
2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 103716600
N-(2-amino-2-cyclopropylethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103872690
N-[(2S)-1-amino-1-oxopentan-2-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 154832931
methyl 2-hydroxy-2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 130580412
ethyl 2-(2-methyl-1,3-thiazol-5-yl)-2-oxoacetate;2-(2-methyl-1,3-thiazol-5-yl)-2-oxoacetic acid
CID 161014927
methyl 2-chloro-2-(2-methyl-1,3-thiazol-5-yl)acetate
CID 130580444

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one (CID 96631567) is (2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one is Cc1ncc(C(=O)[C@@H](C)N)s1.
What is the InChIKey of (2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is RNQRENVXDORSHF-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-4(8)7(10)6-3-9-5(2)11-6/h3-4H,8H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one?
(2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 170.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2-methyl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 96631567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).