2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide

C13H15ClN4OS — CID 66377445

IUPAC2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C13H15ClN4OS/c1-18(2)11-4-3-8(14)5-9(11)17-13(19)10-7-20-12(6-15)16-10/h3-5,7H,6,15H2,1-2H3,(H,17,19)
InChIKeyBEPMLCYDQCHPJY-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.57
Rot. Bonds4

About 2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 66377445) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID66377445
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1csc(CN)n1
InChIInChI=1S/C13H15ClN4OS/c1-18(2)11-4-3-8(14)5-9(11)17-13(19)10-7-20-12(6-15)16-10/h3-5,7H,6,15H2,1-2H3,(H,17,19)
InChIKeyBEPMLCYDQCHPJY-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 66376268
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258
2-(aminomethyl)-N-(2-chloro-5-iodophenyl)-1,3-thiazole-4-carboxamide
CID 114259758
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807916
2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119711879
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66381003
2-(aminomethyl)-N-[1-(2,4-dichlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 119757986
N-[5-chloro-2-(dimethylamino)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 55512490
2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66375672
N-[5-chloro-2-(dimethylamino)phenyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 131923297
2-(aminomethyl)-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66377243

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide (CID 66377445) is 2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide is CN(C)c1ccc(Cl)cc1NC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BEPMLCYDQCHPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-18(2)11-4-3-8(14)5-9(11)17-13(19)10-7-20-12(6-15)16-10/h3-5,7H,6,15H2,1-2H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66377445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).