5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride

C4H9Cl2N3S — CID 87309190

IUPAC5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCc1cnc(N)s1
InChIInChI=1S/C4H7N3S.2ClH/c5-1-3-2-7-4(6)8-3;;/h2H,1,5H2,(H2,6,7);2*1H
InChIKeyFSEPTCYRDLILPI-UHFFFAOYSA-N
MW202.11 g/mol
LogP1.03
Rot. Bonds1

About 5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride

5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 87309190) has the molecular formula C4H9Cl2N3S and a molecular weight of 202.11 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride
PubChem CID87309190
Molecular FormulaC4H9Cl2N3S
Molecular Weight202.11 g/mol
Exact Mass200.99
IUPAC Name5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCc1cnc(N)s1
InChIInChI=1S/C4H7N3S.2ClH/c5-1-3-2-7-4(6)8-3;;/h2H,1,5H2,(H2,6,7);2*1H
InChIKeyFSEPTCYRDLILPI-UHFFFAOYSA-N
XLogP1.03
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.11
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride (CID 87309190) is 5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.NCc1cnc(N)s1.
What is the InChIKey of 5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is FSEPTCYRDLILPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S.2ClH/c5-1-3-2-7-4(6)8-3;;/h2H,1,5H2,(H2,6,7);2*1H.
What are the key properties of 5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride?
5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 202.11 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 87309190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).