N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine

C8H11N5S — CID 131141119

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine
SMILESCCc1ccc(CNc2nn[nH]n2)s1
InChIInChI=1S/C8H11N5S/c1-2-6-3-4-7(14-6)5-9-8-10-12-13-11-8/h3-4H,2,5H2,1H3,(H2,9,10,11,12,13)
InChIKeyPLFUCCJLSLHSSN-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.44
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine

N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine (PubChem CID 131141119) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine
PubChem CID131141119
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine
SMILESCCc1ccc(CNc2nn[nH]n2)s1
InChIInChI=1S/C8H11N5S/c1-2-6-3-4-7(14-6)5-9-8-10-12-13-11-8/h3-4H,2,5H2,1H3,(H2,9,10,11,12,13)
InChIKeyPLFUCCJLSLHSSN-UHFFFAOYSA-N
XLogP1.44
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide
CID 106011879
N-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 104840172
N-[(5-ethylthiophen-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 106013235
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
2,5-diethylthiophene
CID 521294
6-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridazin-3-amine
CID 104877579
N-[(5-ethylthiophen-2-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 115281522
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078
4-chloro-6-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]-1,3,5-triazin-2-amine
CID 106014097
4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 114137291
N-[(5-ethylthiophen-2-yl)methyl]-5-nitropyrimidin-2-amine
CID 113434398
4-N-[(5-ethylthiophen-2-yl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 106015228

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine (CID 131141119) is N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine is CCc1ccc(CNc2nn[nH]n2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine?
The InChIKey is PLFUCCJLSLHSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-2-6-3-4-7(14-6)5-9-8-10-12-13-11-8/h3-4H,2,5H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine?
N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine has a molecular weight of 209.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 131141119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).