N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide

C6H8ClN3OS — CID 130719830

IUPACN-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide
SMILESNCCNC(=O)c1scnc1Cl
InChIInChI=1S/C6H8ClN3OS/c7-5-4(12-3-10-5)6(11)9-2-1-8/h3H,1-2,8H2,(H,9,11)
InChIKeyKIZWLXRDVJKNMN-UHFFFAOYSA-N
MW205.67 g/mol
LogP0.49
Rot. Bonds3

About N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide

N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide (PubChem CID 130719830) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide
PubChem CID130719830
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC NameN-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide
SMILESNCCNC(=O)c1scnc1Cl
InChIInChI=1S/C6H8ClN3OS/c7-5-4(12-3-10-5)6(11)9-2-1-8/h3H,1-2,8H2,(H,9,11)
InChIKeyKIZWLXRDVJKNMN-UHFFFAOYSA-N
XLogP0.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 56803293
4-chloro-N-cyclobutyl-1,3-thiazole-5-carboxamide
CID 130735690
N-(2-aminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103400298
1-(4-chloro-1,3-thiazol-5-yl)ethanone
CID 117274660
N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768541
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 56800018
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 95590890
5-(2-aminoethylamino)-1,3-thiazole-4-carboxylic acid
CID 64631692
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 19768623
N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 19768642
N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
CID 130550689

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide (CID 130719830) is N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide is NCCNC(=O)c1scnc1Cl.
What is the InChIKey of N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide?
The InChIKey is KIZWLXRDVJKNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c7-5-4(12-3-10-5)6(11)9-2-1-8/h3H,1-2,8H2,(H,9,11).
What are the key properties of N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide?
N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide has a molecular weight of 205.67 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 130719830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).