4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C16H20ClN3OS — CID 145420142

IUPAC4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCN(C)c2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C16H20ClN3OS/c1-11-9-13(6-7-14(11)17)20(3)8-4-5-15(21)19-16-18-10-12(2)22-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,21)
InChIKeyDGBUBWALJDNERA-UHFFFAOYSA-N
MW337.88 g/mol
LogP4.27
Rot. Bonds6

About 4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 145420142) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID145420142
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCN(C)c2ccc(Cl)c(C)c2)s1
InChIInChI=1S/C16H20ClN3OS/c1-11-9-13(6-7-14(11)17)20(3)8-4-5-15(21)19-16-18-10-12(2)22-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,21)
InChIKeyDGBUBWALJDNERA-UHFFFAOYSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 24555170
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47242346
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 2092099
4-(3,4-dimethylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 145420181
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
4-[(6-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155553594
4-(3-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47336960
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017
4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155551296
4-(2-methoxyethoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 60567543

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 145420142) is 4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCN(C)c2ccc(Cl)c(C)c2)s1.
What is the InChIKey of 4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is DGBUBWALJDNERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c1-11-9-13(6-7-14(11)17)20(3)8-4-5-15(21)19-16-18-10-12(2)22-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,21).
What are the key properties of 4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 337.88 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-N,3-dimethylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 145420142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).