5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one

C19H20N4OS2 — CID 133286073

IUPAC5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
SMILESO=C1CCC(Nc2nc(-c3ccsc3)nc3sc4c(c23)CCCC4)CN1
InChIInChI=1S/C19H20N4OS2/c24-15-6-5-12(9-20-15)21-18-16-13-3-1-2-4-14(13)26-19(16)23-17(22-18)11-7-8-25-10-11/h7-8,10,12H,1-6,9H2,(H,20,24)(H,21,22,23)
InChIKeyHCEVQWZBKOCEFF-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.99
Rot. Bonds3

About 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one

5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 133286073) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
PubChem CID133286073
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
SMILESO=C1CCC(Nc2nc(-c3ccsc3)nc3sc4c(c23)CCCC4)CN1
InChIInChI=1S/C19H20N4OS2/c24-15-6-5-12(9-20-15)21-18-16-13-3-1-2-4-14(13)26-19(16)23-17(22-18)11-7-8-25-10-11/h7-8,10,12H,1-6,9H2,(H,20,24)(H,21,22,23)
InChIKeyHCEVQWZBKOCEFF-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one with MolForge

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Related Compounds

10-thiophen-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 61025250
(5R)-5-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)azepan-2-one
CID 125420235
2-thiophen-3-yl-N-[4-(1,2,4-triazol-4-yl)butyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133325381
N-(1,1-dioxothiolan-3-yl)-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 16557779
4-N-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)cyclohexane-1,4-diamine
CID 154864887
4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide
CID 133452655
2-chloro-N-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 90287286
3-[methyl-[1-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol
CID 133315457
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133313027
methyl 3-[(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]piperidine-1-carboxylate
CID 133275699
N',N'-dimethyl-N-(2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 71576122
1-(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1,4-diazepan-5-one
CID 17420312

Frequently Asked Questions

What is the IUPAC name of 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one (CID 133286073) is 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one is O=C1CCC(Nc2nc(-c3ccsc3)nc3sc4c(c23)CCCC4)CN1.
What is the InChIKey of 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is HCEVQWZBKOCEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c24-15-6-5-12(9-20-15)21-18-16-13-3-1-2-4-14(13)26-19(16)23-17(22-18)11-7-8-25-10-11/h7-8,10,12H,1-6,9H2,(H,20,24)(H,21,22,23).
What are the key properties of 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one?
5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 384.53 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 133286073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).