N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide

C14H16N2O2S — CID 100665817

IUPACN-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](CO)c2ccccc2)ns1
InChIInChI=1S/C14H16N2O2S/c1-10-7-13(16-19-10)14(18)15-8-12(9-17)11-5-3-2-4-6-11/h2-7,12,17H,8-9H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyOSRHVJQPLGRXLE-LBPRGKRZSA-N
MW276.36 g/mol
LogP1.96
Rot. Bonds5

About N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide

N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 100665817) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID100665817
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](CO)c2ccccc2)ns1
InChIInChI=1S/C14H16N2O2S/c1-10-7-13(16-19-10)14(18)15-8-12(9-17)11-5-3-2-4-6-11/h2-7,12,17H,8-9H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyOSRHVJQPLGRXLE-LBPRGKRZSA-N
XLogP1.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide (CID 100665817) is N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H](CO)c2ccccc2)ns1.
What is the InChIKey of N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is OSRHVJQPLGRXLE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-7-13(16-19-10)14(18)15-8-12(9-17)11-5-3-2-4-6-11/h2-7,12,17H,8-9H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide?
N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-2-phenylpropyl]-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 100665817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).