N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride

C8H14Cl2N2S — CID 154814392

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CNCc1cnc(Cl)s1.Cl
InChIInChI=1S/C8H13ClN2S.ClH/c1-6(2)3-10-4-7-5-11-8(9)12-7;/h5-6,10H,3-4H2,1-2H3;1H
InChIKeyIYGXNELINIOJJH-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.96
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride (PubChem CID 154814392) has the molecular formula C8H14Cl2N2S and a molecular weight of 241.19 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride
PubChem CID154814392
Molecular FormulaC8H14Cl2N2S
Molecular Weight241.19 g/mol
Exact Mass240.03
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CNCc1cnc(Cl)s1.Cl
InChIInChI=1S/C8H13ClN2S.ClH/c1-6(2)3-10-4-7-5-11-8(9)12-7;/h5-6,10H,3-4H2,1-2H3;1H
InChIKeyIYGXNELINIOJJH-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride (CID 154814392) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride is CC(C)CNCc1cnc(Cl)s1.Cl.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride?
The InChIKey is IYGXNELINIOJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2S.ClH/c1-6(2)3-10-4-7-5-11-8(9)12-7;/h5-6,10H,3-4H2,1-2H3;1H.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride has a molecular weight of 241.19 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 154814392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).