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

C15H19N3OS — CID 145420184

IUPAC4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCN(C)c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-12-11-16-15(20-12)17-14(19)9-6-10-18(2)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,17,19)
InChIKeyNUUWKNDNBVHODA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.31
Rot. Bonds6

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

4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 145420184) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID145420184
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCN(C)c2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-12-11-16-15(20-12)17-14(19)9-6-10-18(2)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,17,19)
InChIKeyNUUWKNDNBVHODA-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 145420184) is 4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCN(C)c2ccccc2)s1.
What is the InChIKey of 4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is NUUWKNDNBVHODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-12-11-16-15(20-12)17-14(19)9-6-10-18(2)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,17,19).
What are the key properties of 4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 289.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 145420184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).