N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide

C12H17N5OS — CID 71849693

IUPACN-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCc1nnn(CCNC(=O)c2sccc2C(C)C)n1
InChIInChI=1S/C12H17N5OS/c1-8(2)10-4-7-19-11(10)12(18)13-5-6-17-15-9(3)14-16-17/h4,7-8H,5-6H2,1-3H3,(H,13,18)
InChIKeyPEPXFWOJCLCRAD-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.60
Rot. Bonds5

About N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide

N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide (PubChem CID 71849693) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide
PubChem CID71849693
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCc1nnn(CCNC(=O)c2sccc2C(C)C)n1
InChIInChI=1S/C12H17N5OS/c1-8(2)10-4-7-19-11(10)12(18)13-5-6-17-15-9(3)14-16-17/h4,7-8H,5-6H2,1-3H3,(H,13,18)
InChIKeyPEPXFWOJCLCRAD-UHFFFAOYSA-N
XLogP1.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-3-propan-2-ylthiophene-2-carboxamide
CID 119382828
N-[3-(2-hydroxyethoxy)propyl]-3-propan-2-ylthiophene-2-carboxamide
CID 110022323
tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate
CID 90148596
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propan-2-ylthiophene-2-carboxamide
CID 111441647
N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
CID 95776187
N-[[1-(dimethylamino)cycloheptyl]methyl]-3-propan-2-ylthiophene-2-carboxamide
CID 71887575
N-(2-amino-2-oxoethyl)-N-methyl-3-propan-2-ylthiophene-2-carboxamide
CID 47366898
N-[2-methyl-1-(2H-tetrazol-5-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
CID 166311677
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567181
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-propan-2-ylthiophene-2-carboxamide
CID 60564468
N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119494952
N-(5-hydroxy-4-methylpentyl)-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 103862134

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide (CID 71849693) is N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide is Cc1nnn(CCNC(=O)c2sccc2C(C)C)n1.
What is the InChIKey of N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide?
The InChIKey is PEPXFWOJCLCRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8(2)10-4-7-19-11(10)12(18)13-5-6-17-15-9(3)14-16-17/h4,7-8H,5-6H2,1-3H3,(H,13,18).
What are the key properties of N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide?
N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyltetrazol-2-yl)ethyl]-3-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 71849693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).