4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide

C13H15ClN4OS — CID 116663142

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)N(C)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H15ClN4OS/c1-16-13-17-11(15)10(20-13)12(19)18(2)7-8-3-5-9(14)6-4-8/h3-6H,7,15H2,1-2H3,(H,16,17)
InChIKeyGOHKCAQCMBBXKJ-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.69
Rot. Bonds4

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

4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116663142) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116663142
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(N)c(C(=O)N(C)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H15ClN4OS/c1-16-13-17-11(15)10(20-13)12(19)18(2)7-8-3-5-9(14)6-4-8/h3-6H,7,15H2,1-2H3,(H,16,17)
InChIKeyGOHKCAQCMBBXKJ-UHFFFAOYSA-N
XLogP2.69
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663151
4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669286
4-amino-N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663147
4-amino-N-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663308
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23744153
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618069
4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116664190
4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54978696
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116664274
4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 116673105

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116663142) is 4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide is CNc1nc(N)c(C(=O)N(C)Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is GOHKCAQCMBBXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-16-13-17-11(15)10(20-13)12(19)18(2)7-8-3-5-9(14)6-4-8/h3-6H,7,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).