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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Related Compounds

4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
CID 59822262
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
5-[2-[4-(cyclohexylmethoxy)-3-methylanilino]-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 143328731
6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 154843667
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
5-[2-(3-fluoro-4-pentoxyanilino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 58791523
N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 141165466
5-(oxan-4-ylmethylamino)pyridine-2-carbonitrile
CID 79839036
5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-2-carbonitrile
CID 113320579
6-cyano-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 115606342
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
5-[2-[(4-octoxyphenyl)methyl]-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 158489870

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).