4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C19H20N4O2S — CID 59579969

IUPAC4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C19H20N4O2S/c1-2-15-16(26-19(23-15)17-20-9-6-10-21-17)18(25)22-14(12-24)11-13-7-4-3-5-8-13/h3-10,14,24H,2,11-12H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyCFWWWNLIOVNQLS-AWEZNQCLSA-N
MW368.46 g/mol
LogP2.50
Rot. Bonds7

About 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59579969) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID59579969
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C19H20N4O2S/c1-2-15-16(26-19(23-15)17-20-9-6-10-21-17)18(25)22-14(12-24)11-13-7-4-3-5-8-13/h3-10,14,24H,2,11-12H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyCFWWWNLIOVNQLS-AWEZNQCLSA-N
XLogP2.50
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide 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 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 59579969) is 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CFWWWNLIOVNQLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-15-16(26-19(23-15)17-20-9-6-10-21-17)18(25)22-14(12-24)11-13-7-4-3-5-8-13/h3-10,14,24H,2,11-12H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59579969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).