4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide

C16H20N2OS — CID 110389706

IUPAC4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCc2ccccc2)sc1C(=O)NC(C)C
InChIInChI=1S/C16H20N2OS/c1-11(2)17-16(19)15-12(3)18-14(20-15)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyANEWHSAFIUNMMT-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.37
Rot. Bonds5

About 4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide

4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 110389706) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID110389706
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCc2ccccc2)sc1C(=O)NC(C)C
InChIInChI=1S/C16H20N2OS/c1-11(2)17-16(19)15-12(3)18-14(20-15)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyANEWHSAFIUNMMT-UHFFFAOYSA-N
XLogP3.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-propan-2-yl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389378
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 119219168
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110389733
N-benzyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386459
2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 35261312
4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389448

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 110389706) is 4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(CCc2ccccc2)sc1C(=O)NC(C)C.
What is the InChIKey of 4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ANEWHSAFIUNMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11(2)17-16(19)15-12(3)18-14(20-15)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,17,19).
What are the key properties of 4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110389706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).