N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine

C17H23N3OS — CID 22007008

IUPACN-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(NC2CCCCC2CN)n1
InChIInChI=1S/C17H23N3OS/c1-21-16-9-5-3-7-13(16)15-11-22-17(20-15)19-14-8-4-2-6-12(14)10-18/h3,5,7,9,11-12,14H,2,4,6,8,10,18H2,1H3,(H,19,20)
InChIKeyWBSSQYWXNQIXRY-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.75
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine

N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 22007008) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID22007008
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(NC2CCCCC2CN)n1
InChIInChI=1S/C17H23N3OS/c1-21-16-9-5-3-7-13(16)15-11-22-17(20-15)19-14-8-4-2-6-12(14)10-18/h3,5,7,9,11-12,14H,2,4,6,8,10,18H2,1H3,(H,19,20)
InChIKeyWBSSQYWXNQIXRY-UHFFFAOYSA-N
XLogP3.75
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 8961735
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119713315
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101048
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
trans-(1S,3S)-3-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859109
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylcyclohexyl)oxyacetamide
CID 86941565
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119713341
4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
CID 2536248

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine (CID 22007008) is N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccccc1-c1csc(NC2CCCCC2CN)n1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is WBSSQYWXNQIXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-21-16-9-5-3-7-13(16)15-11-22-17(20-15)19-14-8-4-2-6-12(14)10-18/h3,5,7,9,11-12,14H,2,4,6,8,10,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 317.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 22007008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).