2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone

C15H24N4OS — CID 116667217

IUPAC2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
SMILESCC(C)Nc1nc(N)c(C(=O)N2CCCC3CCCC32)s1
InChIInChI=1S/C15H24N4OS/c1-9(2)17-15-18-13(16)12(21-15)14(20)19-8-4-6-10-5-3-7-11(10)19/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyGABMISGWCKOBPB-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.95
Rot. Bonds3

About 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 116667217) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
PubChem CID116667217
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
SMILESCC(C)Nc1nc(N)c(C(=O)N2CCCC3CCCC32)s1
InChIInChI=1S/C15H24N4OS/c1-9(2)17-15-18-13(16)12(21-15)14(20)19-8-4-6-10-5-3-7-11(10)19/h9-11H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyGABMISGWCKOBPB-UHFFFAOYSA-N
XLogP2.95
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 116667556
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 116663088
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 116667814
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone
CID 116673045
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 116672270
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanone
CID 116672146
[3-(aminomethyl)pyrrolidin-1-yl]-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
CID 116665159
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 116669484
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-(2,3-dimethylpiperidin-1-yl)methanone
CID 116665237

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone (CID 116667217) is 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone is CC(C)Nc1nc(N)c(C(=O)N2CCCC3CCCC32)s1.
What is the InChIKey of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is GABMISGWCKOBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-9(2)17-15-18-13(16)12(21-15)14(20)19-8-4-6-10-5-3-7-11(10)19/h9-11H,3-8,16H2,1-2H3,(H,17,18).
What are the key properties of 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone?
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 308.45 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 116667217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).