2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile

C8H10ClN3OS — CID 130580812

IUPAC2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile
SMILESCC(C)(N)COc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H10ClN3OS/c1-8(2,11)4-13-7-12-6(9)5(3-10)14-7/h4,11H2,1-2H3
InChIKeyMVFMHMYKLCSUPK-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile

2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile (PubChem CID 130580812) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile
PubChem CID130580812
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile
SMILESCC(C)(N)COc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H10ClN3OS/c1-8(2,11)4-13-7-12-6(9)5(3-10)14-7/h4,11H2,1-2H3
InChIKeyMVFMHMYKLCSUPK-UHFFFAOYSA-N
XLogP1.78
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile (CID 130580812) is 2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile is CC(C)(N)COc1nc(Cl)c(C#N)s1.
What is the InChIKey of 2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile?
The InChIKey is MVFMHMYKLCSUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c1-8(2,11)4-13-7-12-6(9)5(3-10)14-7/h4,11H2,1-2H3.
What are the key properties of 2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile?
2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile has a molecular weight of 231.71 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropoxy)-4-chloro-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 130580812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).