5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine

C9H13N5S — CID 59222316

IUPAC5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine
SMILESCc1cc(NC(C)C)c(-c2nn[nH]n2)s1
InChIInChI=1S/C9H13N5S/c1-5(2)10-7-4-6(3)15-8(7)9-11-13-14-12-9/h4-5,10H,1-3H3,(H,11,12,13,14)
InChIKeyQJDBTUWGBRONBW-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.06
Rot. Bonds3

About 5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine

5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine (PubChem CID 59222316) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine
PubChem CID59222316
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine
SMILESCc1cc(NC(C)C)c(-c2nn[nH]n2)s1
InChIInChI=1S/C9H13N5S/c1-5(2)10-7-4-6(3)15-8(7)9-11-13-14-12-9/h4-5,10H,1-3H3,(H,11,12,13,14)
InChIKeyQJDBTUWGBRONBW-UHFFFAOYSA-N
XLogP2.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine?
The IUPAC name of 5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine (CID 59222316) is 5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine.
What is the SMILES notation for 5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine?
The canonical SMILES for 5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine is Cc1cc(NC(C)C)c(-c2nn[nH]n2)s1.
What is the InChIKey of 5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine?
The InChIKey is QJDBTUWGBRONBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-5(2)10-7-4-6(3)15-8(7)9-11-13-14-12-9/h4-5,10H,1-3H3,(H,11,12,13,14).
What are the key properties of 5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine?
5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine has a molecular weight of 223.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-2-(2H-tetrazol-5-yl)thiophen-3-amine is sourced from PubChem (CID 59222316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).