4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile

C14H16N4S — CID 155545312

IUPAC4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile
SMILESCc1ccc(Nc2nc(N(C)C)c(C#N)s2)cc1C
InChIInChI=1S/C14H16N4S/c1-9-5-6-11(7-10(9)2)16-14-17-13(18(3)4)12(8-15)19-14/h5-7H,1-4H3,(H,16,17)
InChIKeyKJTTXSPKHPZRCY-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.44
Rot. Bonds3

About 4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile

4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile (PubChem CID 155545312) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile
PubChem CID155545312
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile
SMILESCc1ccc(Nc2nc(N(C)C)c(C#N)s2)cc1C
InChIInChI=1S/C14H16N4S/c1-9-5-6-11(7-10(9)2)16-14-17-13(18(3)4)12(8-15)19-14/h5-7H,1-4H3,(H,16,17)
InChIKeyKJTTXSPKHPZRCY-UHFFFAOYSA-N
XLogP3.44
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile (CID 155545312) is 4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile is Cc1ccc(Nc2nc(N(C)C)c(C#N)s2)cc1C.
What is the InChIKey of 4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile?
The InChIKey is KJTTXSPKHPZRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-5-6-11(7-10(9)2)16-14-17-13(18(3)4)12(8-15)19-14/h5-7H,1-4H3,(H,16,17).
What are the key properties of 4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile?
4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile has a molecular weight of 272.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(3,4-dimethylanilino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 155545312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).