N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide

C17H22N2OS — CID 1223668

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
SMILESCC(C)(C)c1csc(NC(=O)CCCc2ccccc2)n1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)14-12-21-16(18-14)19-15(20)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,18,19,20)
InChIKeyMQWKEJCDGOMPIQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.40
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide (PubChem CID 1223668) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
PubChem CID1223668
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
SMILESCC(C)(C)c1csc(NC(=O)CCCc2ccccc2)n1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)14-12-21-16(18-14)19-15(20)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,18,19,20)
InChIKeyMQWKEJCDGOMPIQ-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 80695377
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 105118402
4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide
CID 86899870
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 18077952
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254347
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 2861258
N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide (CID 1223668) is N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide is CC(C)(C)c1csc(NC(=O)CCCc2ccccc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide?
The InChIKey is MQWKEJCDGOMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,3)14-12-21-16(18-14)19-15(20)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,18,19,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide has a molecular weight of 302.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 1223668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).