4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide

C21H22N2OS — CID 1338053

IUPAC4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
SMILESCCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C21H22N2OS/c1-4-5-18-19(16-10-6-14(2)7-11-16)22-21(25-18)23-20(24)17-12-8-15(3)9-13-17/h6-13H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyHRDQTBBZDJWQOZ-UHFFFAOYSA-N
MW350.49 g/mol
LogP5.63
Rot. Bonds5

About 4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide

4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide (PubChem CID 1338053) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
PubChem CID1338053
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
SMILESCCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C21H22N2OS/c1-4-5-18-19(16-10-6-14(2)7-11-16)22-21(25-18)23-20(24)17-12-8-15(3)9-13-17/h6-13H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyHRDQTBBZDJWQOZ-UHFFFAOYSA-N
XLogP5.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.49
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4061770
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1136032
4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 11840384
N-[4-(4-bromophenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1282398
2-[4-(4-fluorophenyl)-2-[(4-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 39200247
4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 3346909
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 1347127
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-morpholin-4-ylsulfonyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4181565
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 19226447

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide (CID 1338053) is 4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide is CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is HRDQTBBZDJWQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-4-5-18-19(16-10-6-14(2)7-11-16)22-21(25-18)23-20(24)17-12-8-15(3)9-13-17/h6-13H,4-5H2,1-3H3,(H,22,23,24).
What are the key properties of 4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 350.49 g/mol, XLogP of 5.63, 5 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-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1338053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).