N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide

C18H24N2OS — CID 4232837

IUPACN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C18H24N2OS/c1-12(2)10-16(21)20-17-19-15(11-22-17)13-6-8-14(9-7-13)18(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,19,20,21)
InChIKeySJYSZKFJMHUBMZ-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.09
Rot. Bonds4

About N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide (PubChem CID 4232837) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
PubChem CID4232837
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1
InChIInChI=1S/C18H24N2OS/c1-12(2)10-16(21)20-17-19-15(11-22-17)13-6-8-14(9-7-13)18(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,19,20,21)
InChIKeySJYSZKFJMHUBMZ-UHFFFAOYSA-N
XLogP5.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 51185945
N-[4-[2-[(2-acetamidoacetyl)amino]-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
CID 167788022
N-[3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630647
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 4295617
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178615
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)propanamide
CID 86949975
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
CID 8962073
3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide
CID 119687624

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide (CID 4232837) is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The InChIKey is SJYSZKFJMHUBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-12(2)10-16(21)20-17-19-15(11-22-17)13-6-8-14(9-7-13)18(3,4)5/h6-9,11-12H,10H2,1-5H3,(H,19,20,21).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide has a molecular weight of 316.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide is sourced from PubChem (CID 4232837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).