N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide

C15H19N3O2S — CID 97347114

IUPACN-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)N(C)[C@H](CCO)c2ccccc2)cs1
InChIInChI=1S/C15H19N3O2S/c1-16-15-17-12(10-21-15)14(20)18(2)13(8-9-19)11-6-4-3-5-7-11/h3-7,10,13,19H,8-9H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyUEXCHHXHEQUPLR-CYBMUJFWSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds6

About N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide

N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 97347114) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID97347114
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)N(C)[C@H](CCO)c2ccccc2)cs1
InChIInChI=1S/C15H19N3O2S/c1-16-15-17-12(10-21-15)14(20)18(2)13(8-9-19)11-6-4-3-5-7-11/h3-7,10,13,19H,8-9H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyUEXCHHXHEQUPLR-CYBMUJFWSA-N
XLogP2.38
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-hydroxy-1-phenylpropyl)-methylamino]pyridazine-3-carboxylic acid
CID 154742768
N-(3-hydroxy-1-phenylpropyl)-3-(methoxymethyl)-N-methylthiophene-2-carboxamide
CID 110007853
2,4,5-trifluoro-3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N-methylbenzamide
CID 86789930
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2,2-diphenylacetamide
CID 110397867
3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N,4-dimethylbenzamide
CID 86785053
N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 130708869
(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82131144
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871
2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
CID 89257366
N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide
CID 1096806
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
(3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol
CID 97237931

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 97347114) is N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide is CNc1nc(C(=O)N(C)[C@H](CCO)c2ccccc2)cs1.
What is the InChIKey of N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is UEXCHHXHEQUPLR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-16-15-17-12(10-21-15)14(20)18(2)13(8-9-19)11-6-4-3-5-7-11/h3-7,10,13,19H,8-9H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide?
N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-hydroxy-1-phenylpropyl]-N-methyl-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97347114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).