4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide

C13H16N4OS — CID 116668268

IUPAC4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)N(C)Cc2ccccc2)s1
InChIInChI=1S/C13H16N4OS/c1-15-13-16-11(14)10(19-13)12(18)17(2)8-9-6-4-3-5-7-9/h3-7H,8,14H2,1-2H3,(H,15,16)
InChIKeyDAQRJTIWMPBQJE-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.04
Rot. Bonds4

About 4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116668268) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116668268
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)N(C)Cc2ccccc2)s1
InChIInChI=1S/C13H16N4OS/c1-15-13-16-11(14)10(19-13)12(18)17(2)8-9-6-4-3-5-7-9/h3-7H,8,14H2,1-2H3,(H,15,16)
InChIKeyDAQRJTIWMPBQJE-UHFFFAOYSA-N
XLogP2.04
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663142
4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669286
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663151
4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 116673105
4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylbenzamide
CID 10116565
4-amino-N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663147
N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 53200066
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116663126
N-benzyl-N,4-dimethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39080833
4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 116665362
4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663308
4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116670796

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116668268) is 4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)N(C)Cc2ccccc2)s1.
What is the InChIKey of 4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is DAQRJTIWMPBQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-15-13-16-11(14)10(19-13)12(18)17(2)8-9-6-4-3-5-7-9/h3-7H,8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).