2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile

C12H10N4S — CID 54963648

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H10N4S/c13-7-8-3-2-6-14-11(8)16-12-15-9-4-1-5-10(9)17-12/h2-3,6H,1,4-5H2,(H,14,15,16)
InChIKeyYDQVBTKALHITQY-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.64
Rot. Bonds2

About 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile (PubChem CID 54963648) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile
PubChem CID54963648
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H10N4S/c13-7-8-3-2-6-14-11(8)16-12-15-9-4-1-5-10(9)17-12/h2-3,6H,1,4-5H2,(H,14,15,16)
InChIKeyYDQVBTKALHITQY-UHFFFAOYSA-N
XLogP2.64
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile
CID 55231719
4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile
CID 63093228
5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile
CID 62493395
2-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyridine-3-sulfonamide
CID 106595764
N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 106876827
2-(2-cyanophenoxy)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 26723131
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615433
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
4-cyano-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbenzenesulfonamide
CID 106919755
3-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyridine-2-sulfonamide
CID 103305510
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 59129098

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile (CID 54963648) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile is N#Cc1cccnc1Nc1nc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is YDQVBTKALHITQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c13-7-8-3-2-6-14-11(8)16-12-15-9-4-1-5-10(9)17-12/h2-3,6H,1,4-5H2,(H,14,15,16).
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 242.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 54963648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).