7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide

C17H17N5O2S — CID 2990596

IUPAC7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc4c(cc3c2N)C2CCN4CC2)no1
InChIInChI=1S/C17H17N5O2S/c1-8-6-12(21-24-8)19-16(23)14-13(18)11-7-10-9-2-4-22(5-3-9)15(10)20-17(11)25-14/h6-7,9H,2-5,18H2,1H3,(H,19,21,23)
InChIKeyFREVNADVUJTQDB-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.12
Rot. Bonds2

About 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide

7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide (PubChem CID 2990596) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide
PubChem CID2990596
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc4c(cc3c2N)C2CCN4CC2)no1
InChIInChI=1S/C17H17N5O2S/c1-8-6-12(21-24-8)19-16(23)14-13(18)11-7-10-9-2-4-22(5-3-9)15(10)20-17(11)25-14/h6-7,9H,2-5,18H2,1H3,(H,19,21,23)
InChIKeyFREVNADVUJTQDB-UHFFFAOYSA-N
XLogP3.12
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide with MolForge

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Related Compounds

3-amino-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 647187
2,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-(N-methyl-4-propan-2-ylanilino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 23734246
3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1086352
3-amino-4-(difluoromethyl)-6-methyl-N-(5-methylisoxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 47001015
3-amino-4,5,6-trimethyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 948055
3-amino-6-methyl-N-(5-methyl-3-isoxazolyl)-4-(2-thienyl)-5,6,7,8-tetrahydrothieno[2,3-b]-1,6-naphthyridine-2-carboxamide
CID 2057298
7-amino-N,N-diethyl-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide
CID 2989230
6-acetyl-3-amino-N-(5-methyl-3-isoxazolyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508922
7-amino-N-(3-fluorophenyl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide
CID 2987325
4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3293947
Thieno[2,3-b]pyridine-2-carboxamide, 3-amino-6-(pyridin-3-yl)-N-(5-methylisoxazol-3-yl)-
CID 1086353
3-amino-6-(2,4-difluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 20416435

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide?
The IUPAC name of 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide (CID 2990596) is 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide.
What is the SMILES notation for 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide?
The canonical SMILES for 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide is Cc1cc(NC(=O)c2sc3nc4c(cc3c2N)C2CCN4CC2)no1.
What is the InChIKey of 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide?
The InChIKey is FREVNADVUJTQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-8-6-12(21-24-8)19-16(23)14-13(18)11-7-10-9-2-4-22(5-3-9)15(10)20-17(11)25-14/h6-7,9H,2-5,18H2,1H3,(H,19,21,23).
What are the key properties of 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide?
7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(5-methyl-1,2-oxazol-3-yl)-5-thia-1,3-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraene-6-carboxamide is sourced from PubChem (CID 2990596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).