3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide

C12H17N5OS — CID 99821384

IUPAC3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(C)C[C@@H](C)c1nn[nH]n1
InChIInChI=1S/C12H17N5OS/c1-4-9-5-6-19-10(9)12(18)17(3)7-8(2)11-13-15-16-14-11/h5-6,8H,4,7H2,1-3H3,(H,13,14,15,16)/t8-/m1/s1
InChIKeyOZIBQQCUNAUGBL-MRVPVSSYSA-N
MW279.37 g/mol
LogP1.70
Rot. Bonds5

About 3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide

3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide (PubChem CID 99821384) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
PubChem CID99821384
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(C)C[C@@H](C)c1nn[nH]n1
InChIInChI=1S/C12H17N5OS/c1-4-9-5-6-19-10(9)12(18)17(3)7-8(2)11-13-15-16-14-11/h5-6,8H,4,7H2,1-3H3,(H,13,14,15,16)/t8-/m1/s1
InChIKeyOZIBQQCUNAUGBL-MRVPVSSYSA-N
XLogP1.70
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-Methyl-1H-1,2,3,4-tetrazol-5-YL)-1-(3-methylthiophene-2-carbonyl)piperidine
CID 110196507
[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 164642200
[4,4-difluoro-2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 146146538
N-methyl-4-(2H-tetrazol-5-yl)-N-(3,3,3-trifluoro-2-methylpropyl)thiophene-2-carboxamide
CID 166312285
(3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
CID 166314498
[5-(2H-tetrazol-5-yl)thiophen-3-yl]-[3-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone
CID 167751372
[5-(difluoromethyl)thiophen-2-yl]-[4-methyl-4-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 167980427
(3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone
CID 167987880
N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide
CID 71849693
N-(2H-tetrazol-5-ylmethyl)thiophene-2-carboxamide
CID 61856746
but-1-ene;[2-[2-[(E)-3-methylbut-1-enyl]tetrazol-5-yl]piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 143434676
N-ethyl-4-(2H-tetrazol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 17436323

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide (CID 99821384) is 3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide is CCc1ccsc1C(=O)N(C)C[C@@H](C)c1nn[nH]n1.
What is the InChIKey of 3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide?
The InChIKey is OZIBQQCUNAUGBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-9-5-6-19-10(9)12(18)17(3)7-8(2)11-13-15-16-14-11/h5-6,8H,4,7H2,1-3H3,(H,13,14,15,16)/t8-/m1/s1.
What are the key properties of 3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide?
3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 99821384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).