N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide

C18H23ClN2OS — CID 7518001

IUPACN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)CC(C)(C)C
InChIInChI=1S/C18H23ClN2OS/c1-12-15(9-10-20-16(22)11-18(2,3)4)23-17(21-12)13-5-7-14(19)8-6-13/h5-8H,9-11H2,1-4H3,(H,20,22)
InChIKeyBBRHYDBUGUORAN-UHFFFAOYSA-N
MW350.92 g/mol
LogP4.87
Rot. Bonds5

About N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide

N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide (PubChem CID 7518001) has the molecular formula C18H23ClN2OS and a molecular weight of 350.92 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide
PubChem CID7518001
Molecular FormulaC18H23ClN2OS
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC NameN-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)CC(C)(C)C
InChIInChI=1S/C18H23ClN2OS/c1-12-15(9-10-20-16(22)11-18(2,3)4)23-17(21-12)13-5-7-14(19)8-6-13/h5-8H,9-11H2,1-4H3,(H,20,22)
InChIKeyBBRHYDBUGUORAN-UHFFFAOYSA-N
XLogP4.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxyacetamide
CID 7518024
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 7518028
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7517999
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7518044
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 20965674
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 20965682
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,4,5-triethoxybenzamide
CID 20965668
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 7207758
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dimethoxybenzamide
CID 7503044
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide (CID 7518001) is N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide is Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is BBRHYDBUGUORAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2OS/c1-12-15(9-10-20-16(22)11-18(2,3)4)23-17(21-12)13-5-7-14(19)8-6-13/h5-8H,9-11H2,1-4H3,(H,20,22).
What are the key properties of N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 350.92 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 7518001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).