N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C18H24ClN5OS — CID 6602581

IUPACN-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1coc(CN(Cc2cccs2)Cc2nnnn2C2CCCCC2)c1
InChIInChI=1S/C18H23N5OS.ClH/c1-2-6-15(7-3-1)23-18(19-20-21-23)14-22(12-16-8-4-10-24-16)13-17-9-5-11-25-17;/h4-5,8-11,15H,1-3,6-7,12-14H2;1H
InChIKeyUUAPWCBHONCRCR-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.46
Rot. Bonds7

About N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 6602581) has the molecular formula C18H24ClN5OS and a molecular weight of 393.94 g/mol. Its IUPAC name is N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID6602581
Molecular FormulaC18H24ClN5OS
Molecular Weight393.94 g/mol
Exact Mass393.14
IUPAC NameN-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1coc(CN(Cc2cccs2)Cc2nnnn2C2CCCCC2)c1
InChIInChI=1S/C18H23N5OS.ClH/c1-2-6-15(7-3-1)23-18(19-20-21-23)14-22(12-16-8-4-10-24-16)13-17-9-5-11-25-17;/h4-5,8-11,15H,1-3,6-7,12-14H2;1H
InChIKeyUUAPWCBHONCRCR-UHFFFAOYSA-N
XLogP4.46
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 6602581) is N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.c1coc(CN(Cc2cccs2)Cc2nnnn2C2CCCCC2)c1.
What is the InChIKey of N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is UUAPWCBHONCRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS.ClH/c1-2-6-15(7-3-1)23-18(19-20-21-23)14-22(12-16-8-4-10-24-16)13-17-9-5-11-25-17;/h4-5,8-11,15H,1-3,6-7,12-14H2;1H.
What are the key properties of N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyltetrazol-5-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 6602581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).