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

C8H14N4OS — CID 66389522

IUPACN,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1csc(CCN)n1
InChIInChI=1S/C8H14N4OS/c9-2-1-7-12-6(5-14-7)8(13)11-4-3-10/h5H,1-4,9-10H2,(H,11,13)
InChIKeyNCTKSYDHIWEHLC-UHFFFAOYSA-N
MW214.29 g/mol
LogP-0.67
Rot. Bonds5

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

N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66389522) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
PubChem CID66389522
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
SMILESNCCNC(=O)c1csc(CCN)n1
InChIInChI=1S/C8H14N4OS/c9-2-1-7-12-6(5-14-7)8(13)11-4-3-10/h5H,1-4,9-10H2,(H,11,13)
InChIKeyNCTKSYDHIWEHLC-UHFFFAOYSA-N
XLogP-0.67
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389914
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
2-(2-aminoethyl)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66388361
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 66390867
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)-1,3-thiazole-4-carboxamide
CID 113327458
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 106047628
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389365
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662

Frequently Asked Questions

What is the IUPAC name of N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide (CID 66389522) is N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide is NCCNC(=O)c1csc(CCN)n1.
What is the InChIKey of N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NCTKSYDHIWEHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-2-1-7-12-6(5-14-7)8(13)11-4-3-10/h5H,1-4,9-10H2,(H,11,13).
What are the key properties of N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide?
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 214.29 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).