6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile

C12H12N4S — CID 133327002

IUPAC6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1nc(CNc2ccc(C#N)cn2)sc1C
InChIInChI=1S/C12H12N4S/c1-8-9(2)17-12(16-8)7-15-11-4-3-10(5-13)6-14-11/h3-4,6H,7H2,1-2H3,(H,14,15)
InChIKeyNNVCSZASFCLMJW-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.64
Rot. Bonds3

About 6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile

6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 133327002) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID133327002
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1nc(CNc2ccc(C#N)cn2)sc1C
InChIInChI=1S/C12H12N4S/c1-8-9(2)17-12(16-8)7-15-11-4-3-10(5-13)6-14-11/h3-4,6H,7H2,1-2H3,(H,14,15)
InChIKeyNNVCSZASFCLMJW-UHFFFAOYSA-N
XLogP2.64
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile (CID 133327002) is 6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile is Cc1nc(CNc2ccc(C#N)cn2)sc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is NNVCSZASFCLMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8-9(2)17-12(16-8)7-15-11-4-3-10(5-13)6-14-11/h3-4,6H,7H2,1-2H3,(H,14,15).
What are the key properties of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile?
6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133327002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).