N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide

C16H21N3OS — CID 34421744

IUPACN-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1csc(Nc2cccc(C)c2)n1
InChIInChI=1S/C16H21N3OS/c1-4-5-9-19(3)15(20)14-11-21-16(18-14)17-13-8-6-7-12(2)10-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyDEFABWVTGJHIIX-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.07
Rot. Bonds6

About N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide

N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 34421744) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
PubChem CID34421744
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1csc(Nc2cccc(C)c2)n1
InChIInChI=1S/C16H21N3OS/c1-4-5-9-19(3)15(20)14-11-21-16(18-14)17-13-8-6-7-12(2)10-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyDEFABWVTGJHIIX-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
N-benzyl-2-(3-methylanilino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46136429
2-[[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 42795716
N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948431
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methoxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 42813320
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
2-(3-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 4030631
N-butyl-N-methyl-3-(3-methylanilino)propanamide
CID 109032339
N-butyl-N-methyl-2-(3-methylanilino)propanamide
CID 112501604
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide (CID 34421744) is N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide is CCCCN(C)C(=O)c1csc(Nc2cccc(C)c2)n1.
What is the InChIKey of N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is DEFABWVTGJHIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-5-9-19(3)15(20)14-11-21-16(18-14)17-13-8-6-7-12(2)10-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide?
N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 34421744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).