3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile

C10H15ClN4S — CID 133425145

IUPAC3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile
SMILESCN(C)C(C)(C)CNc1snc(Cl)c1C#N
InChIInChI=1S/C10H15ClN4S/c1-10(2,15(3)4)6-13-9-7(5-12)8(11)14-16-9/h13H,6H2,1-4H3
InChIKeyZKEJGLMCTQXVLA-UHFFFAOYSA-N
MW258.78 g/mol
LogP2.42
Rot. Bonds4

About 3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile

3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile (PubChem CID 133425145) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile
PubChem CID133425145
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile
SMILESCN(C)C(C)(C)CNc1snc(Cl)c1C#N
InChIInChI=1S/C10H15ClN4S/c1-10(2,15(3)4)6-13-9-7(5-12)8(11)14-16-9/h13H,6H2,1-4H3
InChIKeyZKEJGLMCTQXVLA-UHFFFAOYSA-N
XLogP2.42
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile (CID 133425145) is 3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile is CN(C)C(C)(C)CNc1snc(Cl)c1C#N.
What is the InChIKey of 3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is ZKEJGLMCTQXVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c1-10(2,15(3)4)6-13-9-7(5-12)8(11)14-16-9/h13H,6H2,1-4H3.
What are the key properties of 3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 258.78 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133425145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).