1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride

C9H13ClN5OS- — CID 53314595

IUPAC1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride
SMILESCn1nnc(C(O)CNCc2cccs2)n1.[Cl-]
InChIInChI=1S/C9H13N5OS.ClH/c1-14-12-9(11-13-14)8(15)6-10-5-7-3-2-4-16-7;/h2-4,8,10,15H,5-6H2,1H3;1H/p-1
InChIKeyYCAZEHQFVHRPAV-UHFFFAOYSA-M
MW274.76 g/mol
LogP-2.90
Rot. Bonds5

About 1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride

1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride (PubChem CID 53314595) has the molecular formula C9H13ClN5OS- and a molecular weight of 274.76 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride
PubChem CID53314595
Molecular FormulaC9H13ClN5OS-
Molecular Weight274.76 g/mol
Exact Mass274.05
IUPAC Name1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride
SMILESCn1nnc(C(O)CNCc2cccs2)n1.[Cl-]
InChIInChI=1S/C9H13N5OS.ClH/c1-14-12-9(11-13-14)8(15)6-10-5-7-3-2-4-16-7;/h2-4,8,10,15H,5-6H2,1H3;1H/p-1
InChIKeyYCAZEHQFVHRPAV-UHFFFAOYSA-M
XLogP-2.90
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 5-2.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride (CID 53314595) is 1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride is Cn1nnc(C(O)CNCc2cccs2)n1.[Cl-].
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride?
The InChIKey is YCAZEHQFVHRPAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13N5OS.ClH/c1-14-12-9(11-13-14)8(15)6-10-5-7-3-2-4-16-7;/h2-4,8,10,15H,5-6H2,1H3;1H/p-1.
What are the key properties of 1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride?
1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride has a molecular weight of 274.76 g/mol, XLogP of -2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-2-(thiophen-2-ylmethylamino)ethanol chloride is sourced from PubChem (CID 53314595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).