methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate

C20H26N2O3S — CID 2384164

IUPACmethyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate
SMILESCOC(=O)CCc1sc(NC2CCCCC2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O3S/c1-24-16-10-8-14(9-11-16)19-17(12-13-18(23)25-2)26-20(22-19)21-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H,21,22)
InChIKeyFLYURFLDYAXJMJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.67
Rot. Bonds7

About methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate

methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate (PubChem CID 2384164) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate
PubChem CID2384164
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Namemethyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate
SMILESCOC(=O)CCc1sc(NC2CCCCC2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O3S/c1-24-16-10-8-14(9-11-16)19-17(12-13-18(23)25-2)26-20(22-19)21-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H,21,22)
InChIKeyFLYURFLDYAXJMJ-UHFFFAOYSA-N
XLogP4.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate with MolForge

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Related Compounds

5-Ethyl-4-(4-methoxy-phenyl)-thiazol-2-ylamine
CID 828523
2-{2-[(2-Methoxyphenyl)amino]-4-phenyl-1,3-thiazol-5-yl}acetic acid
CID 4095384
4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
CID 2443333
[2-(1-Azepanyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl](phenyl)methanone
CID 4451465
Methyl 3-[4-(4-methoxyphenyl)-2-(phenylamino)-1,3-thiazol-5-yl]propanoate
CID 1861424
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158
N'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-oxononanediamide
CID 9822443
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylguanidine
CID 9999107
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-propan-2-ylguanidine
CID 10318585
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
CID 10429998
4,5-Bis(4-methoxyphenyl)-2-(3-isopropylureidomethyl)thiazole
CID 10431761
5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706125

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate?
The IUPAC name of methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate (CID 2384164) is methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate is COC(=O)CCc1sc(NC2CCCCC2)nc1-c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate?
The InChIKey is FLYURFLDYAXJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-24-16-10-8-14(9-11-16)19-17(12-13-18(23)25-2)26-20(22-19)21-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H,21,22).
What are the key properties of methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate?
methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate has a molecular weight of 374.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate is sourced from PubChem (CID 2384164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).