2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine

C6H10ClN3S — CID 83156525

IUPAC2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine
SMILESCC(CN)Nc1nc(Cl)cs1
InChIInChI=1S/C6H10ClN3S/c1-4(2-8)9-6-10-5(7)3-11-6/h3-4H,2,8H2,1H3,(H,9,10)
InChIKeyJGOGXQJIECHWDB-UHFFFAOYSA-N
MW191.69 g/mol
LogP1.56
Rot. Bonds3

About 2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine

2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine (PubChem CID 83156525) has the molecular formula C6H10ClN3S and a molecular weight of 191.69 g/mol. Its IUPAC name is 2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine
PubChem CID83156525
Molecular FormulaC6H10ClN3S
Molecular Weight191.69 g/mol
Exact Mass191.03
IUPAC Name2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine
SMILESCC(CN)Nc1nc(Cl)cs1
InChIInChI=1S/C6H10ClN3S/c1-4(2-8)9-6-10-5(7)3-11-6/h3-4H,2,8H2,1H3,(H,9,10)
InChIKeyJGOGXQJIECHWDB-UHFFFAOYSA-N
XLogP1.56
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.69
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine (CID 83156525) is 2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine is CC(CN)Nc1nc(Cl)cs1.
What is the InChIKey of 2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine?
The InChIKey is JGOGXQJIECHWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3S/c1-4(2-8)9-6-10-5(7)3-11-6/h3-4H,2,8H2,1H3,(H,9,10).
What are the key properties of 2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine?
2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine has a molecular weight of 191.69 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 83156525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).