4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide

C17H22N2OS — CID 87050246

IUPAC4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
SMILESCc1csc(-c2ccc(CNC(=O)CCC(C)C)cc2)n1
InChIInChI=1S/C17H22N2OS/c1-12(2)4-9-16(20)18-10-14-5-7-15(8-6-14)17-19-13(3)11-21-17/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyXPKKGZVDMMVZRA-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.17
Rot. Bonds6

About 4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide

4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide (PubChem CID 87050246) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
PubChem CID87050246
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide
SMILESCc1csc(-c2ccc(CNC(=O)CCC(C)C)cc2)n1
InChIInChI=1S/C17H22N2OS/c1-12(2)4-9-16(20)18-10-14-5-7-15(8-6-14)17-19-13(3)11-21-17/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,20)
InChIKeyXPKKGZVDMMVZRA-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 87050229
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pentanamide
CID 108738364
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 171136538
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 47048123
N-[[4-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 87050316
4-(4-methoxyphenyl)-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-4-oxobutanamide
CID 108738448
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877601
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
The IUPAC name of 4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide (CID 87050246) is 4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
The canonical SMILES for 4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide is Cc1csc(-c2ccc(CNC(=O)CCC(C)C)cc2)n1.
What is the InChIKey of 4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
The InChIKey is XPKKGZVDMMVZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)4-9-16(20)18-10-14-5-7-15(8-6-14)17-19-13(3)11-21-17/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,20).
What are the key properties of 4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide has a molecular weight of 302.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]pentanamide is sourced from PubChem (CID 87050246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).