N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine

C23H25ClN2OS — CID 10024703

IUPACN-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine
SMILESClc1ccc(-c2csc(COc3cccc(CNC4CCCCC4)c3)n2)cc1
InChIInChI=1S/C23H25ClN2OS/c24-19-11-9-18(10-12-19)22-16-28-23(26-22)15-27-21-8-4-5-17(13-21)14-25-20-6-2-1-3-7-20/h4-5,8-13,16,20,25H,1-3,6-7,14-15H2
InChIKeyYMCCVFYWLLXGNA-UHFFFAOYSA-N
MW412.99 g/mol
LogP6.46
Rot. Bonds7

About N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine

N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine (PubChem CID 10024703) has the molecular formula C23H25ClN2OS and a molecular weight of 412.99 g/mol. Its IUPAC name is N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine
PubChem CID10024703
Molecular FormulaC23H25ClN2OS
Molecular Weight412.99 g/mol
Exact Mass412.14
IUPAC NameN-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine
SMILESClc1ccc(-c2csc(COc3cccc(CNC4CCCCC4)c3)n2)cc1
InChIInChI=1S/C23H25ClN2OS/c24-19-11-9-18(10-12-19)22-16-28-23(26-22)15-27-21-8-4-5-17(13-21)14-25-20-6-2-1-3-7-20/h4-5,8-13,16,20,25H,1-3,6-7,14-15H2
InChIKeyYMCCVFYWLLXGNA-UHFFFAOYSA-N
XLogP6.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.99
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 4721424
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17295058
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[(3-pyrimidin-2-yloxyphenyl)methyl]cycloheptanamine
CID 17213620
N-[(3-prop-2-ynoxyphenyl)methyl]cyclohexanamine
CID 94074251
N-[[3-[(3,4-dichlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 63496125
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine?
The IUPAC name of N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine (CID 10024703) is N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine?
The canonical SMILES for N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine is Clc1ccc(-c2csc(COc3cccc(CNC4CCCCC4)c3)n2)cc1.
What is the InChIKey of N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine?
The InChIKey is YMCCVFYWLLXGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2OS/c24-19-11-9-18(10-12-19)22-16-28-23(26-22)15-27-21-8-4-5-17(13-21)14-25-20-6-2-1-3-7-20/h4-5,8-13,16,20,25H,1-3,6-7,14-15H2.
What are the key properties of N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine?
N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine has a molecular weight of 412.99 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]cyclohexanamine is sourced from PubChem (CID 10024703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).