1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea

C16H21N5O2S — CID 22510522

IUPAC1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCOc1ccccc1NC(=O)Nc1nnc(N2CCCCC2)s1
InChIInChI=1S/C16H21N5O2S/c1-2-23-13-9-5-4-8-12(13)17-14(22)18-15-19-20-16(24-15)21-10-6-3-7-11-21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H2,17,18,19,22)
InChIKeyXRCDSCBMYWEBMF-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea

1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 22510522) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID22510522
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCOc1ccccc1NC(=O)Nc1nnc(N2CCCCC2)s1
InChIInChI=1S/C16H21N5O2S/c1-2-23-13-9-5-4-8-12(13)17-14(22)18-15-19-20-16(24-15)21-10-6-3-7-11-21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H2,17,18,19,22)
InChIKeyXRCDSCBMYWEBMF-UHFFFAOYSA-N
XLogP3.57
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 5029627
1-(4-fluorophenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 20885174
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 122334873
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109039758
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
N-[3-[(2-ethoxyphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326508
1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(2-ethoxyphenyl)urea
CID 23609690
ethyl 1-[5-[(4-fluorophenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylate
CID 20886395
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
1-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]methyl]-3-(2-ethoxyphenyl)urea
CID 121016894
N-cyclopropyl-5-[(2-ethoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065611
2-[[5-(tert-butylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 7385367

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea (CID 22510522) is 1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea is CCOc1ccccc1NC(=O)Nc1nnc(N2CCCCC2)s1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is XRCDSCBMYWEBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-2-23-13-9-5-4-8-12(13)17-14(22)18-15-19-20-16(24-15)21-10-6-3-7-11-21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H2,17,18,19,22).
What are the key properties of 1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea?
1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 347.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 22510522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).