N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine

C5H8ClN3S — CID 19003043

IUPACN'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine
SMILESNCCNc1cnc(Cl)s1
InChIInChI=1S/C5H8ClN3S/c6-5-9-3-4(10-5)8-2-1-7/h3,8H,1-2,7H2
InChIKeyJTUYCTQTEHJWCU-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.17
Rot. Bonds3

About N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine

N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine (PubChem CID 19003043) has the molecular formula C5H8ClN3S and a molecular weight of 177.66 g/mol. Its IUPAC name is N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine
PubChem CID19003043
Molecular FormulaC5H8ClN3S
Molecular Weight177.66 g/mol
Exact Mass177.01
IUPAC NameN'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine
SMILESNCCNc1cnc(Cl)s1
InChIInChI=1S/C5H8ClN3S/c6-5-9-3-4(10-5)8-2-1-7/h3,8H,1-2,7H2
InChIKeyJTUYCTQTEHJWCU-UHFFFAOYSA-N
XLogP1.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl((1,3-thiazol-2-yl)methyl)amine
CID 18939834
5-Amino-1,3-thiazole-2-carbothioamide
CID 3440815
2-Methyl-1,3-thiazol-5-amine
CID 20829880
5-Amino-1,3-thiazole
CID 12416330
Ethyl-Thiazol-2-Ylmethyl-Amine
CID 4777625
(1,3-Thiazol-2-yl)methanamine hydrochloride
CID 42614216
5-Thiazolamine hydrochloride
CID 46738146
1,3-Thiazol-5-amine dihydrochloride
CID 121553812
Ethyl(1,3-thiazol-2-ylmethyl)amine hydrochloride
CID 119031798
2-Bromo-1,3-thiazol-5-amine hydrobromide
CID 131699865
2-Propyl-1,3-thiazol-5-amine dihydrochloride
CID 137952064
2-(Trifluoromethyl)-1,3-thiazol-5-amine hydrochloride
CID 137965841

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine (CID 19003043) is N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine is NCCNc1cnc(Cl)s1.
What is the InChIKey of N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine?
The InChIKey is JTUYCTQTEHJWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3S/c6-5-9-3-4(10-5)8-2-1-7/h3,8H,1-2,7H2.
What are the key properties of N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine?
N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine has a molecular weight of 177.66 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-1,3-thiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 19003043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).