(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).