5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C10H17ClF3N3S — CID 120898883

IUPAC5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)CN(Cc1cnc(N)s1)CC(F)(F)F.Cl
InChIInChI=1S/C10H16F3N3S.ClH/c1-7(2)4-16(6-10(11,12)13)5-8-3-15-9(14)17-8;/h3,7H,4-6H2,1-2H3,(H2,14,15);1H
InChIKeyRVQPAWXYRPAZBR-UHFFFAOYSA-N
MW303.78 g/mol
LogP3.17
Rot. Bonds5

About 5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120898883) has the molecular formula C10H17ClF3N3S and a molecular weight of 303.78 g/mol. Its IUPAC name is 5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120898883
Molecular FormulaC10H17ClF3N3S
Molecular Weight303.78 g/mol
Exact Mass303.08
IUPAC Name5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)CN(Cc1cnc(N)s1)CC(F)(F)F.Cl
InChIInChI=1S/C10H16F3N3S.ClH/c1-7(2)4-16(6-10(11,12)13)5-8-3-15-9(14)17-8;/h3,7H,4-6H2,1-2H3,(H2,14,15);1H
InChIKeyRVQPAWXYRPAZBR-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120898883) is 5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)CN(Cc1cnc(N)s1)CC(F)(F)F.Cl.
What is the InChIKey of 5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is RVQPAWXYRPAZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S.ClH/c1-7(2)4-16(6-10(11,12)13)5-8-3-15-9(14)17-8;/h3,7H,4-6H2,1-2H3,(H2,14,15);1H.
What are the key properties of 5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 303.78 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120898883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).