1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine

C12H15ClN2S2 — CID 61336911

IUPAC1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C12H15ClN2S2/c1-12(2,3)10(14)11-15-7(6-16-11)8-4-5-9(13)17-8/h4-6,10H,14H2,1-3H3
InChIKeyPDCDUSVASUQYGB-UHFFFAOYSA-N
MW286.85 g/mol
LogP4.57
Rot. Bonds2

About 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine

1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (PubChem CID 61336911) has the molecular formula C12H15ClN2S2 and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
PubChem CID61336911
Molecular FormulaC12H15ClN2S2
Molecular Weight286.85 g/mol
Exact Mass286.04
IUPAC Name1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C12H15ClN2S2/c1-12(2,3)10(14)11-15-7(6-16-11)8-4-5-9(13)17-8/h4-6,10H,14H2,1-3H3
InChIKeyPDCDUSVASUQYGB-UHFFFAOYSA-N
XLogP4.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-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-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (CID 61336911) is 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is PDCDUSVASUQYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S2/c1-12(2,3)10(14)11-15-7(6-16-11)8-4-5-9(13)17-8/h4-6,10H,14H2,1-3H3.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 286.85 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61336911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).