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

C10H15N3S — CID 13144618

IUPAC4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile
SMILESCN(C)c1nc(C(C)(C)C)c(C#N)s1
InChIInChI=1S/C10H15N3S/c1-10(2,3)8-7(6-11)14-9(12-8)13(4)5/h1-5H3
InChIKeyLOKYYINGXRVFJQ-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.38
Rot. Bonds1

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

4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 13144618) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile
PubChem CID13144618
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile
SMILESCN(C)c1nc(C(C)(C)C)c(C#N)s1
InChIInChI=1S/C10H15N3S/c1-10(2,3)8-7(6-11)14-9(12-8)13(4)5/h1-5H3
InChIKeyLOKYYINGXRVFJQ-UHFFFAOYSA-N
XLogP2.38
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile (CID 13144618) is 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile is CN(C)c1nc(C(C)(C)C)c(C#N)s1.
What is the InChIKey of 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is LOKYYINGXRVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-10(2,3)8-7(6-11)14-9(12-8)13(4)5/h1-5H3.
What are the key properties of 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile?
4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 209.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(dimethylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 13144618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).