N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide

C16H20N2O2S — CID 111596080

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-4-18(11-16(2,3)20)15(19)13-10-17-14(21-13)12-8-6-5-7-9-12/h5-10,20H,4,11H2,1-3H3
InChIKeyFSJBVQRMEDVGCQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.04
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 111596080) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID111596080
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-4-18(11-16(2,3)20)15(19)13-10-17-14(21-13)12-8-6-5-7-9-12/h5-10,20H,4,11H2,1-3H3
InChIKeyFSJBVQRMEDVGCQ-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 46471508
N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
CID 86991083
N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55756219
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119172820
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 79377189
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 81443183
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylthiophene-2-carboxamide
CID 79384871
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991146
N-butyl-2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 56535509

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 111596080) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide is CCN(CC(C)(C)O)C(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is FSJBVQRMEDVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-18(11-16(2,3)20)15(19)13-10-17-14(21-13)12-8-6-5-7-9-12/h5-10,20H,4,11H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111596080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).