N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide

C17H22N2OS — CID 47048123

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCc1csc(CNC(=O)CCc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H22N2OS/c1-12(2)15-7-4-14(5-8-15)6-9-16(20)18-10-17-19-13(3)11-21-17/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,18,20)
InChIKeyIFAVIVUFVKIQPU-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.82
Rot. Bonds6

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 47048123) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide
PubChem CID47048123
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCc1csc(CNC(=O)CCc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C17H22N2OS/c1-12(2)15-7-4-14(5-8-15)6-9-16(20)18-10-17-19-13(3)11-21-17/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,18,20)
InChIKeyIFAVIVUFVKIQPU-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 29278184
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 61044456
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
2-[[3-(4-methylphenyl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380847
1-(4-methyl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62794962
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
3-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110388436
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide (CID 47048123) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide is Cc1csc(CNC(=O)CCc2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is IFAVIVUFVKIQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)15-7-4-14(5-8-15)6-9-16(20)18-10-17-19-13(3)11-21-17/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 302.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 47048123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).