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

C12H16N2S2 — CID 116865432

IUPACN,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCNCC(C)(C)c1nc(-c2cccs2)cs1
InChIInChI=1S/C12H16N2S2/c1-12(2,8-13-3)11-14-9(7-16-11)10-5-4-6-15-10/h4-7,13H,8H2,1-3H3
InChIKeyPNTVGXZTCXQNGV-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.37
Rot. Bonds4

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

N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 116865432) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID116865432
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCNCC(C)(C)c1nc(-c2cccs2)cs1
InChIInChI=1S/C12H16N2S2/c1-12(2,8-13-3)11-14-9(7-16-11)10-5-4-6-15-10/h4-7,13H,8H2,1-3H3
InChIKeyPNTVGXZTCXQNGV-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865454
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865446
2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865445
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965205
N-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116967539
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965174
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 5344926
[1-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropyl]methanol
CID 116966897
3-[methyl-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethyl]amino]propanoic acid
CID 82103529

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine (CID 116865432) is N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine is CNCC(C)(C)c1nc(-c2cccs2)cs1.
What is the InChIKey of N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is PNTVGXZTCXQNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-12(2,8-13-3)11-14-9(7-16-11)10-5-4-6-15-10/h4-7,13H,8H2,1-3H3.
What are the key properties of N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine?
N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 116865432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).