2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide

C15H13N3O2S2 — CID 124877593

IUPAC2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](O)c1ncc(C(=O)Nc2ccc(-c3nccs3)cc2)s1
InChIInChI=1S/C15H13N3O2S2/c1-9(19)14-17-8-12(22-14)13(20)18-11-4-2-10(3-5-11)15-16-6-7-21-15/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyVAIVOXCOJDSSBL-SECBINFHSA-N
MW331.42 g/mol
LogP3.57
Rot. Bonds4

About 2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide

2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 124877593) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID124877593
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](O)c1ncc(C(=O)Nc2ccc(-c3nccs3)cc2)s1
InChIInChI=1S/C15H13N3O2S2/c1-9(19)14-17-8-12(22-14)13(20)18-11-4-2-10(3-5-11)15-16-6-7-21-15/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1
InChIKeyVAIVOXCOJDSSBL-SECBINFHSA-N
XLogP3.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17435952
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
N-(3-anilinophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazole-5-carboxamide
CID 124877056
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
(2R)-2-amino-3,3-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]butanamide
CID 103928998
2,5-dimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 27702222
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide
CID 55943190
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide (CID 124877593) is 2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide is C[C@@H](O)c1ncc(C(=O)Nc2ccc(-c3nccs3)cc2)s1.
What is the InChIKey of 2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VAIVOXCOJDSSBL-SECBINFHSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-9(19)14-17-8-12(22-14)13(20)18-11-4-2-10(3-5-11)15-16-6-7-21-15/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide?
2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxyethyl]-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124877593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).