4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride

C17H20ClN5OS — CID 6602563

IUPAC4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride
SMILESCl.c1ccc(Cn2nnnc2C(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C17H19N5OS.ClH/c1-2-5-14(6-3-1)13-22-17(18-19-20-22)16(15-7-4-12-24-15)21-8-10-23-11-9-21;/h1-7,12,16H,8-11,13H2;1H
InChIKeyRZGVQRQZDWYZKC-UHFFFAOYSA-N
MW377.90 g/mol
LogP2.63
Rot. Bonds5

About 4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride

4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride (PubChem CID 6602563) has the molecular formula C17H20ClN5OS and a molecular weight of 377.90 g/mol. Its IUPAC name is 4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride
PubChem CID6602563
Molecular FormulaC17H20ClN5OS
Molecular Weight377.90 g/mol
Exact Mass377.11
IUPAC Name4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride
SMILESCl.c1ccc(Cn2nnnc2C(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C17H19N5OS.ClH/c1-2-5-14(6-3-1)13-22-17(18-19-20-22)16(15-7-4-12-24-15)21-8-10-23-11-9-21;/h1-7,12,16H,8-11,13H2;1H
InChIKeyRZGVQRQZDWYZKC-UHFFFAOYSA-N
XLogP2.63
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride?
The IUPAC name of 4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride (CID 6602563) is 4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride is Cl.c1ccc(Cn2nnnc2C(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride?
The InChIKey is RZGVQRQZDWYZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS.ClH/c1-2-5-14(6-3-1)13-22-17(18-19-20-22)16(15-7-4-12-24-15)21-8-10-23-11-9-21;/h1-7,12,16H,8-11,13H2;1H.
What are the key properties of 4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride?
4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride has a molecular weight of 377.90 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]morpholine;hydrochloride is sourced from PubChem (CID 6602563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).