N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C15H13N3OS2 — CID 80711433

IUPACN-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H13N3OS2/c19-15(13-7-9-8-20-6-5-12(9)21-13)16-14-10-3-1-2-4-11(10)17-18-14/h1-4,7H,5-6,8H2,(H2,16,17,18,19)
InChIKeyGPJQQEZOSVXAGR-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.67
Rot. Bonds2

About N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 80711433) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID80711433
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC NameN-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H13N3OS2/c19-15(13-7-9-8-20-6-5-12(9)21-13)16-14-10-3-1-2-4-11(10)17-18-14/h1-4,7H,5-6,8H2,(H2,16,17,18,19)
InChIKeyGPJQQEZOSVXAGR-UHFFFAOYSA-N
XLogP3.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261759
5-chloro-N-(1H-indazol-3-yl)thiophene-2-carboxamide
CID 60735598
N-(3-ethynylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 80708496
N-(2-amino-4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81269223
N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81269659
N-(4-bromo-3,5-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 107575004
N-(3-azabicyclo[3.1.0]hexan-6-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261660
N-[(4-bromophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 80709060
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
2-chloro-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-phenylethanone
CID 81261553
2,5-dichloro-N-(1H-indazol-3-yl)benzamide
CID 60729962

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 80711433) is N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is O=C(Nc1n[nH]c2ccccc12)c1cc2c(s1)CCSC2.
What is the InChIKey of N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is GPJQQEZOSVXAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c19-15(13-7-9-8-20-6-5-12(9)21-13)16-14-10-3-1-2-4-11(10)17-18-14/h1-4,7H,5-6,8H2,(H2,16,17,18,19).
What are the key properties of N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 80711433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).