N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C10H11N5OS2 — CID 80709412

IUPACN-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESO=C(NCc1nn[nH]n1)c1cc2c(s1)CCSC2
InChIInChI=1S/C10H11N5OS2/c16-10(11-4-9-12-14-15-13-9)8-3-6-5-17-2-1-7(6)18-8/h3H,1-2,4-5H2,(H,11,16)(H,12,13,14,15)
InChIKeyBDHBBDYQBYPCTC-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.98
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 80709412) has the molecular formula C10H11N5OS2 and a molecular weight of 281.37 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID80709412
Molecular FormulaC10H11N5OS2
Molecular Weight281.37 g/mol
Exact Mass281.04
IUPAC NameN-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESO=C(NCc1nn[nH]n1)c1cc2c(s1)CCSC2
InChIInChI=1S/C10H11N5OS2/c16-10(11-4-9-12-14-15-13-9)8-3-6-5-17-2-1-7(6)18-8/h3H,1-2,4-5H2,(H,11,16)(H,12,13,14,15)
InChIKeyBDHBBDYQBYPCTC-UHFFFAOYSA-N
XLogP0.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 80709412) is N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is O=C(NCc1nn[nH]n1)c1cc2c(s1)CCSC2.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is BDHBBDYQBYPCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS2/c16-10(11-4-9-12-14-15-13-9)8-3-6-5-17-2-1-7(6)18-8/h3H,1-2,4-5H2,(H,11,16)(H,12,13,14,15).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 281.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 80709412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).