5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile

C13H12N4S — CID 59828899

IUPAC5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2csc(NCC3CC3)n2)cn1
InChIInChI=1S/C13H12N4S/c14-5-11-4-3-10(7-15-11)12-8-18-13(17-12)16-6-9-1-2-9/h3-4,7-9H,1-2,6H2,(H,16,17)
InChIKeyIDZMPQIIMNIYCC-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.90
Rot. Bonds4

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

5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile (PubChem CID 59828899) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
PubChem CID59828899
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(-c2csc(NCC3CC3)n2)cn1
InChIInChI=1S/C13H12N4S/c14-5-11-4-3-10(7-15-11)12-8-18-13(17-12)16-6-9-1-2-9/h3-4,7-9H,1-2,6H2,(H,16,17)
InChIKeyIDZMPQIIMNIYCC-UHFFFAOYSA-N
XLogP2.90
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile (CID 59828899) is 5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile is N#Cc1ccc(-c2csc(NCC3CC3)n2)cn1.
What is the InChIKey of 5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is IDZMPQIIMNIYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-5-11-4-3-10(7-15-11)12-8-18-13(17-12)16-6-9-1-2-9/h3-4,7-9H,1-2,6H2,(H,16,17).
What are the key properties of 5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile?
5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 256.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 59828899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).