1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

C12H17N3S2 — CID 55241944

IUPAC1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCc1nc(-c2csc(C(N)C(C)C)n2)c(C)s1
InChIInChI=1S/C12H17N3S2/c1-6(2)10(13)12-15-9(5-16-12)11-7(3)17-8(4)14-11/h5-6,10H,13H2,1-4H3
InChIKeyLXZDVQHDKHKIDL-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.54
Rot. Bonds3

About 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (PubChem CID 55241944) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
PubChem CID55241944
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCc1nc(-c2csc(C(N)C(C)C)n2)c(C)s1
InChIInChI=1S/C12H17N3S2/c1-6(2)10(13)12-15-9(5-16-12)11-7(3)17-8(4)14-11/h5-6,10H,13H2,1-4H3
InChIKeyLXZDVQHDKHKIDL-UHFFFAOYSA-N
XLogP3.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (CID 55241944) is 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is Cc1nc(-c2csc(C(N)C(C)C)n2)c(C)s1.
What is the InChIKey of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is LXZDVQHDKHKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-6(2)10(13)12-15-9(5-16-12)11-7(3)17-8(4)14-11/h5-6,10H,13H2,1-4H3.
What are the key properties of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 55241944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).