4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide

C15H17ClN2OS — CID 56906564

IUPAC4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCN(Cc1nccs1)C(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2OS/c1-18(11-14-17-9-10-20-14)15(19)4-2-3-12-5-7-13(16)8-6-12/h5-10H,2-4,11H2,1H3
InChIKeyMAADWQIBIJBGEH-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.78
Rot. Bonds6

About 4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide

4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 56906564) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID56906564
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCN(Cc1nccs1)C(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2OS/c1-18(11-14-17-9-10-20-14)15(19)4-2-3-12-5-7-13(16)8-6-12/h5-10H,2-4,11H2,1H3
InChIKeyMAADWQIBIJBGEH-UHFFFAOYSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dichlorothiophen-3-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 71972491
(3R)-3-(4-chlorophenyl)-N-methyl-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 42117371
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
3-[4-(4-chlorophenyl)butanoyl-methylamino]propanoic acid
CID 82224338
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
2-(4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110715683
N-(2-hydroxyethyl)-9-(4-propylphenyl)-N-(1,3-thiazol-2-ylmethyl)nonanamide
CID 168720733
4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
CID 87000731
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 55772389
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 56906564) is 4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide is CN(Cc1nccs1)C(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is MAADWQIBIJBGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-18(11-14-17-9-10-20-14)15(19)4-2-3-12-5-7-13(16)8-6-12/h5-10H,2-4,11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 308.83 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 56906564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).