N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

C12H12ClN3OS — CID 39162463

IUPACN-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3OS/c13-9-3-1-8(2-4-9)12-16-10(7-18-12)11(17)15-6-5-14/h1-4,7H,5-6,14H2,(H,15,17)
InChIKeyALLDGWDQHMMBRO-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.15
Rot. Bonds4

About N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide

N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 39162463) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID39162463
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC NameN-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3OS/c13-9-3-1-8(2-4-9)12-16-10(7-18-12)11(17)15-6-5-14/h1-4,7H,5-6,14H2,(H,15,17)
InChIKeyALLDGWDQHMMBRO-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 119508471
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
2-(4-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120827406
2-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119393747
2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide
CID 41450831
N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 56808469
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862
N-(2-aminoethyl)-1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119481732
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide (CID 39162463) is N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is NCCNC(=O)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ALLDGWDQHMMBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-9-3-1-8(2-4-9)12-16-10(7-18-12)11(17)15-6-5-14/h1-4,7H,5-6,14H2,(H,15,17).
What are the key properties of N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide?
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.77 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39162463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).