4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol

C12H17N5OS — CID 123413482

IUPAC4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(Cc2cccs2)(Nc2nn[nH]n2)CC1
InChIInChI=1S/C12H17N5OS/c18-9-3-5-12(6-4-9,8-10-2-1-7-19-10)13-11-14-16-17-15-11/h1-2,7,9,18H,3-6,8H2,(H2,13,14,15,16,17)
InChIKeyBSQUBJDRLGQUJU-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.59
Rot. Bonds4

About 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol

4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol (PubChem CID 123413482) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
PubChem CID123413482
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
SMILESOC1CCC(Cc2cccs2)(Nc2nn[nH]n2)CC1
InChIInChI=1S/C12H17N5OS/c18-9-3-5-12(6-4-9,8-10-2-1-7-19-10)13-11-14-16-17-15-11/h1-2,7,9,18H,3-6,8H2,(H2,13,14,15,16,17)
InChIKeyBSQUBJDRLGQUJU-UHFFFAOYSA-N
XLogP1.59
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
CID 14559512
1-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 143087848
4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol
CID 138514846
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol
CID 165491706
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
CID 114762644
[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol
CID 61057016
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130

Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol (CID 123413482) is 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol is OC1CCC(Cc2cccs2)(Nc2nn[nH]n2)CC1.
What is the InChIKey of 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is BSQUBJDRLGQUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c18-9-3-5-12(6-4-9,8-10-2-1-7-19-10)13-11-14-16-17-15-11/h1-2,7,9,18H,3-6,8H2,(H2,13,14,15,16,17).
What are the key properties of 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol?
4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 279.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-ylamino)-4-(thiophen-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 123413482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).