4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride

C6H12ClN3S — CID 87455482

IUPAC4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.NCCCc1csc(N)n1
InChIInChI=1S/C6H11N3S.ClH/c7-3-1-2-5-4-10-6(8)9-5;/h4H,1-3,7H2,(H2,8,9);1H
InChIKeyKWFKTDRKCVJZPJ-UHFFFAOYSA-N
MW193.70 g/mol
LogP1.04
Rot. Bonds3

About 4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride

4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 87455482) has the molecular formula C6H12ClN3S and a molecular weight of 193.70 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID87455482
Molecular FormulaC6H12ClN3S
Molecular Weight193.70 g/mol
Exact Mass193.04
IUPAC Name4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.NCCCc1csc(N)n1
InChIInChI=1S/C6H11N3S.ClH/c7-3-1-2-5-4-10-6(8)9-5;/h4H,1-3,7H2,(H2,8,9);1H
InChIKeyKWFKTDRKCVJZPJ-UHFFFAOYSA-N
XLogP1.04
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.70
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride (CID 87455482) is 4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride is Cl.NCCCc1csc(N)n1.
What is the InChIKey of 4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is KWFKTDRKCVJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S.ClH/c7-3-1-2-5-4-10-6(8)9-5;/h4H,1-3,7H2,(H2,8,9);1H.
What are the key properties of 4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride?
4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 193.70 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 87455482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).