1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one

C15H20N4OS — CID 82526566

IUPAC1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
SMILESCC(C)Nc1nnc(-c2cccn(C3CCCC3)c2=O)s1
InChIInChI=1S/C15H20N4OS/c1-10(2)16-15-18-17-13(21-15)12-8-5-9-19(14(12)20)11-6-3-4-7-11/h5,8-11H,3-4,6-7H2,1-2H3,(H,16,18)
InChIKeyBLUUXDRZJHTQCZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.30
Rot. Bonds4

About 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one

1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one (PubChem CID 82526566) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
PubChem CID82526566
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
SMILESCC(C)Nc1nnc(-c2cccn(C3CCCC3)c2=O)s1
InChIInChI=1S/C15H20N4OS/c1-10(2)16-15-18-17-13(21-15)12-8-5-9-19(14(12)20)11-6-3-4-7-11/h5,8-11H,3-4,6-7H2,1-2H3,(H,16,18)
InChIKeyBLUUXDRZJHTQCZ-UHFFFAOYSA-N
XLogP3.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526401
1-butan-2-yl-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one
CID 82526817
1-methyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522618
1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449049
1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82526599
1-[(1R,3S)-3-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373382
1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139383698
1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457478
1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457664
6-methyl-4-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-2-propylpyridazin-3-one
CID 82442832
3-(chloromethyl)-1-cyclopentylpyridin-2-one
CID 82526593
3-(butylaminomethyl)-1-cyclopentylpyridin-2-one
CID 82526600

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one (CID 82526566) is 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one is CC(C)Nc1nnc(-c2cccn(C3CCCC3)c2=O)s1.
What is the InChIKey of 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
The InChIKey is BLUUXDRZJHTQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10(2)16-15-18-17-13(21-15)12-8-5-9-19(14(12)20)11-6-3-4-7-11/h5,8-11H,3-4,6-7H2,1-2H3,(H,16,18).
What are the key properties of 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one?
1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one has a molecular weight of 304.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]pyridin-2-one is sourced from PubChem (CID 82526566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).