3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

C16H21N3OS — CID 82523299

IUPAC3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCC(C)Nc1nc(-c2cc3c(n(C)c2=O)CCC3)cs1
InChIInChI=1S/C16H21N3OS/c1-4-10(2)17-16-18-13(9-21-16)12-8-11-6-5-7-14(11)19(3)15(12)20/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKeyAFDMVXHVXBIOHP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.21
Rot. Bonds4

About 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one

3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (PubChem CID 82523299) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
PubChem CID82523299
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
SMILESCCC(C)Nc1nc(-c2cc3c(n(C)c2=O)CCC3)cs1
InChIInChI=1S/C16H21N3OS/c1-4-10(2)17-16-18-13(9-21-16)12-8-11-6-5-7-14(11)19(3)15(12)20/h8-10H,4-7H2,1-3H3,(H,17,18)
InChIKeyAFDMVXHVXBIOHP-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one with MolForge

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Related Compounds

1-methyl-3-[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]-5,6,7,8-tetrahydroquinolin-2-one
CID 82522618
6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-propylpyridazin-3-one
CID 82442841
N-butan-2-yl-4-(2,6-dimethyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 82452103
2-butyl-6-methyl-4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridazin-3-one
CID 82442963
6-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-2-(2-methoxyethyl)pyridazin-3-one
CID 82442523
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878542
1-methyl-3-(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522622
1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525387
3-(2-amino-1,3-thiazol-4-yl)-1-cyclopentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522854
N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine
CID 82452260
3-[4-(2-methoxyethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523315
N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82435926

Frequently Asked Questions

What is the IUPAC name of 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one (CID 82523299) is 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is CCC(C)Nc1nc(-c2cc3c(n(C)c2=O)CCC3)cs1.
What is the InChIKey of 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
The InChIKey is AFDMVXHVXBIOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-10(2)17-16-18-13(9-21-16)12-8-11-6-5-7-14(11)19(3)15(12)20/h8-10H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one?
3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one has a molecular weight of 303.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-1-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 82523299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).