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

C10H11N3OS2 — CID 19768706

IUPACN-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1ncsc1-c1ccsc1
InChIInChI=1S/C10H11N3OS2/c11-2-3-12-10(14)8-9(16-6-13-8)7-1-4-15-5-7/h1,4-6H,2-3,11H2,(H,12,14)
InChIKeyXEEICQVPVCSZIF-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.56
Rot. Bonds4

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

N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 19768706) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID19768706
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC NameN-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1ncsc1-c1ccsc1
InChIInChI=1S/C10H11N3OS2/c11-2-3-12-10(14)8-9(16-6-13-8)7-1-4-15-5-7/h1,4-6H,2-3,11H2,(H,12,14)
InChIKeyXEEICQVPVCSZIF-UHFFFAOYSA-N
XLogP1.56
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-5-(3,5-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 19768642
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 19768623
N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768541
N-(2-aminoethyl)-5-[3-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768609
2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768577
N-[2-[[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 19768576
N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide
CID 130719830
N-(2-sulfamoylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56787733
tert-butyl N-[2-[[5-(3-iodophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 54091391
N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide
CID 174643362
tert-butyl N-[2-[[5-(3-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamate
CID 54010314
4-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 43355092

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 19768706) is N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide is NCCNC(=O)c1ncsc1-c1ccsc1.
What is the InChIKey of N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XEEICQVPVCSZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c11-2-3-12-10(14)8-9(16-6-13-8)7-1-4-15-5-7/h1,4-6H,2-3,11H2,(H,12,14).
What are the key properties of N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 19768706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).