3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol

C18H23N3OS — CID 71553401

IUPAC3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol
SMILESNC1CCC(NC2CC2c2cnc(-c3cccc(O)c3)s2)CC1
InChIInChI=1S/C18H23N3OS/c19-12-4-6-13(7-5-12)21-16-9-15(16)17-10-20-18(23-17)11-2-1-3-14(22)8-11/h1-3,8,10,12-13,15-16,21-22H,4-7,9,19H2
InChIKeyJTYCUBANCFAWDT-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.23
Rot. Bonds4

About 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol

3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol (PubChem CID 71553401) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol
PubChem CID71553401
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol
SMILESNC1CCC(NC2CC2c2cnc(-c3cccc(O)c3)s2)CC1
InChIInChI=1S/C18H23N3OS/c19-12-4-6-13(7-5-12)21-16-9-15(16)17-10-20-18(23-17)11-2-1-3-14(22)8-11/h1-3,8,10,12-13,15-16,21-22H,4-7,9,19H2
InChIKeyJTYCUBANCFAWDT-UHFFFAOYSA-N
XLogP3.23
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol with MolForge

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Related Compounds

3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride
CID 66714329
4-N-[(1S,2R)-2-pyridin-2-ylcyclopropyl]cyclohexane-1,4-diamine
CID 150395237
3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol
CID 66714511
5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)thiophene-3-carboxamide
CID 118433151
3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride
CID 162323507
3-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenol
CID 115066856
3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61282920
3-[5-(2-aminocyclopropyl)thiophen-2-yl]phenol
CID 66714894
5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-2-methyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 118432853
3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol
CID 115091792
4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
CID 170087346
4-N-[(1R,2S)-2-[4-(pyridin-3-ylmethoxy)phenyl]cyclopropyl]cyclohexane-1,4-diamine
CID 71553561

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol (CID 71553401) is 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol is NC1CCC(NC2CC2c2cnc(-c3cccc(O)c3)s2)CC1.
What is the InChIKey of 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol?
The InChIKey is JTYCUBANCFAWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c19-12-4-6-13(7-5-12)21-16-9-15(16)17-10-20-18(23-17)11-2-1-3-14(22)8-11/h1-3,8,10,12-13,15-16,21-22H,4-7,9,19H2.
What are the key properties of 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol?
3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol has a molecular weight of 329.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 71553401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).