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

C11H13N5OS2 — CID 166311950

IUPACN-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESO=C(NCCc1nn[nH]n1)C1SCCc2sccc21
InChIInChI=1S/C11H13N5OS2/c17-11(12-4-1-9-13-15-16-14-9)10-7-2-5-18-8(7)3-6-19-10/h2,5,10H,1,3-4,6H2,(H,12,17)(H,13,14,15,16)
InChIKeyUUUCUZRXKGBNHH-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.95
Rot. Bonds4

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

N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (PubChem CID 166311950) has the molecular formula C11H13N5OS2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
PubChem CID166311950
Molecular FormulaC11H13N5OS2
Molecular Weight295.39 g/mol
Exact Mass295.06
IUPAC NameN-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESO=C(NCCc1nn[nH]n1)C1SCCc2sccc21
InChIInChI=1S/C11H13N5OS2/c17-11(12-4-1-9-13-15-16-14-9)10-7-2-5-18-8(7)3-6-19-10/h2,5,10H,1,3-4,6H2,(H,12,17)(H,13,14,15,16)
InChIKeyUUUCUZRXKGBNHH-UHFFFAOYSA-N
XLogP0.95
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2H-tetrazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 134861998
N-[1-(2H-tetrazol-5-yl)ethyl]-2-thiophen-3-ylacetamide
CID 61850981
N-(2H-tetrazol-5-ylmethyl)-4-thiophen-2-ylbutanamide
CID 61851565
N-[1-(2H-tetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 61851913
N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 61854715
N-(2H-tetrazol-5-ylmethyl)-2-thiophen-2-ylacetamide
CID 61854738
N-(2H-tetrazol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 61856708
N-(2H-tetrazol-5-ylmethyl)-2-thiophen-3-ylacetamide
CID 61856737
N-[1-(2H-tetrazol-5-yl)butyl]-2-thiophen-2-ylpropanamide
CID 71920434
N-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993604
N-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 80709412
N-[1-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261130

Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The IUPAC name of N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (CID 166311950) is N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.
What is the SMILES notation for N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The canonical SMILES for N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is O=C(NCCc1nn[nH]n1)C1SCCc2sccc21.
What is the InChIKey of N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The InChIKey is UUUCUZRXKGBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS2/c17-11(12-4-1-9-13-15-16-14-9)10-7-2-5-18-8(7)3-6-19-10/h2,5,10H,1,3-4,6H2,(H,12,17)(H,13,14,15,16).
What are the key properties of N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-tetrazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is sourced from PubChem (CID 166311950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).