4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile

C14H10N4S — CID 55258412

IUPAC4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCc1cscn1
InChIInChI=1S/C14H10N4S/c15-5-10-6-16-13-4-2-1-3-12(13)14(10)17-7-11-8-19-9-18-11/h1-4,6,8-9H,7H2,(H,16,17)
InChIKeyLJDWLVPDQCVNSG-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.18
Rot. Bonds3

About 4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile

4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile (PubChem CID 55258412) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile
PubChem CID55258412
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1NCc1cscn1
InChIInChI=1S/C14H10N4S/c15-5-10-6-16-13-4-2-1-3-12(13)14(10)17-7-11-8-19-9-18-11/h1-4,6,8-9H,7H2,(H,16,17)
InChIKeyLJDWLVPDQCVNSG-UHFFFAOYSA-N
XLogP3.18
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile
CID 793761
3-Amino-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 690864
4-Pyridin-2-yl-5-quinolin-2-yl-thiazol-2-ylamine
CID 11403950
4-(3-Chloro-4-fluorophenylamino)-6-(thiazol-2-ylmethylamino)quinoline-3-carbonitrile
CID 44420096
4-[5-[4-[[8-(Quinolin-4-ylamino)octylamino]methyl]phenyl]thiophen-2-yl]benzonitrile
CID 137647607
2-(1,3-Thiazol-2-yl)quinoline
CID 1473004
7-chloro-N-[(4-phenylthiazol-2-yl)methyl]quinolin-4-amine
CID 71458169
7-(2-Methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
CID 71579330
2-(2,6-Difluorophenyl)-4-(4-piperazin-1-ylquinolin-6-yl)-1,3-thiazole
CID 118720253
2-cyanoethyl N-(quinolin-3-ylmethyl)carbamodithioate
CID 54575814
4-[2-[6-methyl-2-oxo-4-(4-quinolyl)-3,4-dihydro-1H-pyrimidin-5-yl]thiazol-4-yl]benzonitrile
CID 71506815
4-Quinolinamine, 8-fluoro-N-[2-(2-thienyl)ethyl]-
CID 164183

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile?
The IUPAC name of 4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile (CID 55258412) is 4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1NCc1cscn1.
What is the InChIKey of 4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile?
The InChIKey is LJDWLVPDQCVNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c15-5-10-6-16-13-4-2-1-3-12(13)14(10)17-7-11-8-19-9-18-11/h1-4,6,8-9H,7H2,(H,16,17).
What are the key properties of 4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile?
4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile has a molecular weight of 266.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-ylmethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 55258412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).