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

C19H20N4O2S2 — CID 133452655

IUPAC4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1nc(-c2ccsc2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C19H20N4O2S2/c20-16(24)13-9-25-7-6-23(13)18-15-12-3-1-2-4-14(12)27-19(15)22-17(21-18)11-5-8-26-10-11/h5,8,10,13H,1-4,6-7,9H2,(H2,20,24)
InChIKeyXNLVVDVAQXDQNM-UHFFFAOYSA-N
MW400.53 g/mol
LogP2.99
Rot. Bonds3

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

4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide (PubChem CID 133452655) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide
PubChem CID133452655
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC Name4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1c1nc(-c2ccsc2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C19H20N4O2S2/c20-16(24)13-9-25-7-6-23(13)18-15-12-3-1-2-4-14(12)27-19(15)22-17(21-18)11-5-8-26-10-11/h5,8,10,13H,1-4,6-7,9H2,(H2,20,24)
InChIKeyXNLVVDVAQXDQNM-UHFFFAOYSA-N
XLogP2.99
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide 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
4-(4-morpholin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)aniline
CID 155807823
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
4-(2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine
CID 155807821
(2R)-1-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)pyrrolidine-2-carboxylic acid
CID 122051892
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
5-[(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]piperidin-2-one
CID 133286073
cyclopropyl-[4-(2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 1434935
(2R)-1-[10-[(4-methylpiperidin-1-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]pyrrolidine-2-carboxamide
CID 9113279
4-(2-thiophen-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazine-2-carboxamide
CID 42933931
4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide
CID 75499749
(2R)-1-[(7R)-2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 6598775

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide (CID 133452655) is 4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide is NC(=O)C1COCCN1c1nc(-c2ccsc2)nc2sc3c(c12)CCCC3.
What is the InChIKey of 4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide?
The InChIKey is XNLVVDVAQXDQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c20-16(24)13-9-25-7-6-23(13)18-15-12-3-1-2-4-14(12)27-19(15)22-17(21-18)11-5-8-26-10-11/h5,8,10,13H,1-4,6-7,9H2,(H2,20,24).
What are the key properties of 4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide?
4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)morpholine-3-carboxamide is sourced from PubChem (CID 133452655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).