N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

C11H14N6OS — CID 119513985

IUPACN-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCN1)c1sccc1-n1cnnn1
InChIInChI=1S/C11H14N6OS/c18-11(13-6-8-2-1-4-12-8)10-9(3-5-19-10)17-7-14-15-16-17/h3,5,7-8,12H,1-2,4,6H2,(H,13,18)
InChIKeyIOGCBTZDLADKIG-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.21
Rot. Bonds4

About N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide

N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (PubChem CID 119513985) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
PubChem CID119513985
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC NameN-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
SMILESO=C(NCC1CCCN1)c1sccc1-n1cnnn1
InChIInChI=1S/C11H14N6OS/c18-11(13-6-8-2-1-4-12-8)10-9(3-5-19-10)17-7-14-15-16-17/h3,5,7-8,12H,1-2,4,6H2,(H,13,18)
InChIKeyIOGCBTZDLADKIG-UHFFFAOYSA-N
XLogP0.21
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-(pyrrolidin-2-ylmethyl)-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119509965
3-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 62541792
N-(2-piperazin-1-ylethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119448553
methyl 2-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]acetate
CID 43623271
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)thiophene-2-carboxamide
CID 103730655
3-(tetrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120813693
N-(4-hydroxy-2-methylbutyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 66108564
N-(3-amino-2-methylpropyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide;hydrochloride
CID 119995821
N-[1-(hydroxymethyl)cyclohexyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 62520559
N-(6-oxopiperidin-3-yl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 62491426
N,N-dimethyl-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 47323771
pyrrolidin-1-yl-[3-(tetrazol-1-yl)thiophen-2-yl]methanone
CID 47187933

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide (CID 119513985) is N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is O=C(NCC1CCCN1)c1sccc1-n1cnnn1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
The InChIKey is IOGCBTZDLADKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c18-11(13-6-8-2-1-4-12-8)10-9(3-5-19-10)17-7-14-15-16-17/h3,5,7-8,12H,1-2,4,6H2,(H,13,18).
What are the key properties of N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide?
N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 119513985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).