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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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).