(2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide

C15H17N3O3S — CID 137349399

IUPAC(2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide
SMILESCOc1cccc(-c2sc(NC(=O)[C@@H](C)N)nc2C(C)=O)c1
InChIInChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1
InChIKeyRXAAAHIWJRPSEA-MRVPVSSYSA-N
MW319.39 g/mol
LogP2.31
Rot. Bonds5

About (2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide

(2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide (PubChem CID 137349399) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide.

Molecular Properties

Compound Name(2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide
PubChem CID137349399
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide
SMILESCOc1cccc(-c2sc(NC(=O)[C@@H](C)N)nc2C(C)=O)c1
InChIInChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1
InChIKeyRXAAAHIWJRPSEA-MRVPVSSYSA-N
XLogP2.31
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide?
The IUPAC name of (2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide (CID 137349399) is (2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide.
What is the SMILES notation for (2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide?
The canonical SMILES for (2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide is COc1cccc(-c2sc(NC(=O)[C@@H](C)N)nc2C(C)=O)c1.
What is the InChIKey of (2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide?
The InChIKey is RXAAAHIWJRPSEA-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1.
What are the key properties of (2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide?
(2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide has a molecular weight of 319.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-acetyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-aminopropanamide is sourced from PubChem (CID 137349399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).