1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine

C7H8ClN5S — CID 79420178

IUPAC1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESClc1csc(CNCc2nn[nH]n2)c1
InChIInChI=1S/C7H8ClN5S/c8-5-1-6(14-4-5)2-9-3-7-10-12-13-11-7/h1,4,9H,2-3H2,(H,10,11,12,13)
InChIKeyWAVHBWIITXBCFZ-UHFFFAOYSA-N
MW229.70 g/mol
LogP1.20
Rot. Bonds4

About 1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine

1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine (PubChem CID 79420178) has the molecular formula C7H8ClN5S and a molecular weight of 229.70 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
PubChem CID79420178
Molecular FormulaC7H8ClN5S
Molecular Weight229.70 g/mol
Exact Mass229.02
IUPAC Name1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
SMILESClc1csc(CNCc2nn[nH]n2)c1
InChIInChI=1S/C7H8ClN5S/c8-5-1-6(14-4-5)2-9-3-7-10-12-13-11-7/h1,4,9H,2-3H2,(H,10,11,12,13)
InChIKeyWAVHBWIITXBCFZ-UHFFFAOYSA-N
XLogP1.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.70
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine (CID 79420178) is 1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine is Clc1csc(CNCc2nn[nH]n2)c1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
The InChIKey is WAVHBWIITXBCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5S/c8-5-1-6(14-4-5)2-9-3-7-10-12-13-11-7/h1,4,9H,2-3H2,(H,10,11,12,13).
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine?
1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine has a molecular weight of 229.70 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 79420178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).