5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C10H18ClN3S — CID 120898662

IUPAC5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)N(Cc1cnc(N)s1)C1CC1.Cl
InChIInChI=1S/C10H17N3S.ClH/c1-7(2)13(8-3-4-8)6-9-5-12-10(11)14-9;/h5,7-8H,3-4,6H2,1-2H3,(H2,11,12);1H
InChIKeyZZGXTMZFOXZOMD-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.52
Rot. Bonds4

About 5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120898662) has the molecular formula C10H18ClN3S and a molecular weight of 247.79 g/mol. Its IUPAC name is 5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120898662
Molecular FormulaC10H18ClN3S
Molecular Weight247.79 g/mol
Exact Mass247.09
IUPAC Name5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)N(Cc1cnc(N)s1)C1CC1.Cl
InChIInChI=1S/C10H17N3S.ClH/c1-7(2)13(8-3-4-8)6-9-5-12-10(11)14-9;/h5,7-8H,3-4,6H2,1-2H3,(H2,11,12);1H
InChIKeyZZGXTMZFOXZOMD-UHFFFAOYSA-N
XLogP2.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120898662) is 5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)N(Cc1cnc(N)s1)C1CC1.Cl.
What is the InChIKey of 5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZZGXTMZFOXZOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S.ClH/c1-7(2)13(8-3-4-8)6-9-5-12-10(11)14-9;/h5,7-8H,3-4,6H2,1-2H3,(H2,11,12);1H.
What are the key properties of 5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 247.79 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120898662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).