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

C6H13Cl2N3S — CID 47000672

IUPAC4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCCCc1csc(N)n1
InChIInChI=1S/C6H11N3S.2ClH/c7-3-1-2-5-4-10-6(8)9-5;;/h4H,1-3,7H2,(H2,8,9);2*1H
InChIKeyBHCHUXXNTHWMGJ-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.46
Rot. Bonds3

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

4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 47000672) has the molecular formula C6H13Cl2N3S and a molecular weight of 230.16 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride
PubChem CID47000672
Molecular FormulaC6H13Cl2N3S
Molecular Weight230.16 g/mol
Exact Mass229.02
IUPAC Name4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCCCc1csc(N)n1
InChIInChI=1S/C6H11N3S.2ClH/c7-3-1-2-5-4-10-6(8)9-5;;/h4H,1-3,7H2,(H2,8,9);2*1H
InChIKeyBHCHUXXNTHWMGJ-UHFFFAOYSA-N
XLogP1.46
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyano-5-(2-guanidinothiazol-4-yl)pentanoamidine
CID 12805998
4-Cyclopropyl-1,3-thiazol-2-amine
CID 674456
4-Ethyl-1,3-thiazol-2-amine
CID 12378205
4-(2-Aminoethyl)-1,3-thiazol-2-amine
CID 10964631
4-Cyclobutyl-1,3-thiazol-2-amine
CID 22063634
4-Ethyl-1,3-thiazol-2-amine hydrochloride
CID 50988207
4-(2-Aminoethyl)-1,3-thiazol-2-amine dihydrochloride
CID 71685850
4-Propyl-1,3-thiazol-2-amine hydrochloride
CID 71757760
2-Guanidino-4-(4-(2-cyano-3-methylguanidino)butyl)thiazole
CID 23330869
4-Heptyl-1,3-thiazol-2-amine
CID 24973504
4-(Butan-2-yl)-1,3-thiazol-2-amine hydrobromide
CID 137965712
4-(4-Chlorobutyl)-1,3-thiazol-2-amine hydrochloride
CID 155822637

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride (CID 47000672) is 4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.NCCCc1csc(N)n1.
What is the InChIKey of 4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is BHCHUXXNTHWMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S.2ClH/c7-3-1-2-5-4-10-6(8)9-5;;/h4H,1-3,7H2,(H2,8,9);2*1H.
What are the key properties of 4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride?
4-(3-aminopropyl)-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 230.16 g/mol, XLogP of 1.46, 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;dihydrochloride is sourced from PubChem (CID 47000672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).