1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

C17H23N5O3S — CID 4292590

IUPAC1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)c1
InChIInChI=1S/C17H23N5O3S/c1-11-6-8-22(9-7-11)17-21-20-16(26-17)19-15(23)18-13-10-12(24-2)4-5-14(13)25-3/h4-5,10-11H,6-9H2,1-3H3,(H2,18,19,20,23)
InChIKeyUHEUGHXFDIJAAK-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.44
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 4292590) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID4292590
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCOc1ccc(OC)c(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)c1
InChIInChI=1S/C17H23N5O3S/c1-11-6-8-22(9-7-11)17-21-20-16(26-17)19-15(23)18-13-10-12(24-2)4-5-14(13)25-3/h4-5,10-11H,6-9H2,1-3H3,(H2,18,19,20,23)
InChIKeyUHEUGHXFDIJAAK-UHFFFAOYSA-N
XLogP3.44
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25351726
1-cyclopentyl-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 58430656
1-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 43815637
1-cyclopentyl-3-[5-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-yl]urea
CID 58430555
1-(2,4-dimethoxyphenyl)-3-[5-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]urea
CID 50825460
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate
CID 27667616
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 121107937
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
(Z)-2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 170912415
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea (CID 4292590) is 1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea is COc1ccc(OC)c(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is UHEUGHXFDIJAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-11-6-8-22(9-7-11)17-21-20-16(26-17)19-15(23)18-13-10-12(24-2)4-5-14(13)25-3/h4-5,10-11H,6-9H2,1-3H3,(H2,18,19,20,23).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea?
1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 377.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-[5-(4-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 4292590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).