N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C11H13N5OS2 — CID 81261130

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CCSC2)c1nn[nH]n1
InChIInChI=1S/C11H13N5OS2/c1-6(10-13-15-16-14-10)12-11(17)9-4-7-5-18-3-2-8(7)19-9/h4,6H,2-3,5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyVRLRQZOCJZKOPH-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.54
Rot. Bonds3

About N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 81261130) has the molecular formula C11H13N5OS2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID81261130
Molecular FormulaC11H13N5OS2
Molecular Weight295.39 g/mol
Exact Mass295.06
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCC(NC(=O)c1cc2c(s1)CCSC2)c1nn[nH]n1
InChIInChI=1S/C11H13N5OS2/c1-6(10-13-15-16-14-10)12-11(17)9-4-7-5-18-3-2-8(7)19-9/h4,6H,2-3,5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyVRLRQZOCJZKOPH-UHFFFAOYSA-N
XLogP1.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 81261130) is N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is CC(NC(=O)c1cc2c(s1)CCSC2)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is VRLRQZOCJZKOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS2/c1-6(10-13-15-16-14-10)12-11(17)9-4-7-5-18-3-2-8(7)19-9/h4,6H,2-3,5H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 81261130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).