1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea

C16H21N5OS — CID 122245095

IUPAC1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea
SMILESO=C(NCCc1ccccc1)NC1CCN(c2cnsn2)CC1
InChIInChI=1S/C16H21N5OS/c22-16(17-9-6-13-4-2-1-3-5-13)19-14-7-10-21(11-8-14)15-12-18-23-20-15/h1-5,12,14H,6-11H2,(H2,17,19,22)
InChIKeyGPJJSOVRHDVWPB-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.05
Rot. Bonds5

About 1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea

1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea (PubChem CID 122245095) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea
PubChem CID122245095
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea
SMILESO=C(NCCc1ccccc1)NC1CCN(c2cnsn2)CC1
InChIInChI=1S/C16H21N5OS/c22-16(17-9-6-13-4-2-1-3-5-13)19-14-7-10-21(11-8-14)15-12-18-23-20-15/h1-5,12,14H,6-11H2,(H2,17,19,22)
InChIKeyGPJJSOVRHDVWPB-UHFFFAOYSA-N
XLogP2.05
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427
N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 126851164
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
CID 23766297
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-cyclohexylurea
CID 110645469
1-(1-benzylpiperidin-4-yl)-3-[2-(3-hydroxyphenyl)ethyl]urea
CID 60602821
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
1-(2-phenylethyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 91626320
1-(3-phenylpropyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47065812

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea (CID 122245095) is 1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea is O=C(NCCc1ccccc1)NC1CCN(c2cnsn2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea?
The InChIKey is GPJJSOVRHDVWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c22-16(17-9-6-13-4-2-1-3-5-13)19-14-7-10-21(11-8-14)15-12-18-23-20-15/h1-5,12,14H,6-11H2,(H2,17,19,22).
What are the key properties of 1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea?
1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea has a molecular weight of 331.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea is sourced from PubChem (CID 122245095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).