2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine

C12H16N2S2 — CID 116965205

IUPAC2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCC(C)(CN)Cc1nc(-c2cccs2)cs1
InChIInChI=1S/C12H16N2S2/c1-12(2,8-13)6-11-14-9(7-16-11)10-4-3-5-15-10/h3-5,7H,6,8,13H2,1-2H3
InChIKeySQPWMZHIHGBVGL-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.40
Rot. Bonds4

About 2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine

2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 116965205) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID116965205
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCC(C)(CN)Cc1nc(-c2cccs2)cs1
InChIInChI=1S/C12H16N2S2/c1-12(2,8-13)6-11-14-9(7-16-11)10-4-3-5-15-10/h3-5,7H,6,8,13H2,1-2H3
InChIKeySQPWMZHIHGBVGL-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine (CID 116965205) is 2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine is CC(C)(CN)Cc1nc(-c2cccs2)cs1.
What is the InChIKey of 2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is SQPWMZHIHGBVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-12(2,8-13)6-11-14-9(7-16-11)10-4-3-5-15-10/h3-5,7H,6,8,13H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 116965205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).