1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

C17H23N5OS — CID 86830659

IUPAC1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)NC2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C17H23N5OS/c1-2-6-15-20-21-17(24-15)19-16(23)18-13-9-11-22(12-10-13)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H2,18,19,21,23)
InChIKeyWNIGVFUSTDZBTP-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.28
Rot. Bonds5

About 1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 86830659) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID86830659
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)NC2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C17H23N5OS/c1-2-6-15-20-21-17(24-15)19-16(23)18-13-9-11-22(12-10-13)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H2,18,19,21,23)
InChIKeyWNIGVFUSTDZBTP-UHFFFAOYSA-N
XLogP3.28
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17152495
N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide
CID 86987716
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
CID 17152412
1-(2-methyltetrazol-5-yl)-3-(1-phenylpiperidin-4-yl)urea
CID 167966617
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415
1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea
CID 110491785
1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199493
1-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-thiolan-3-yl]urea
CID 30852188
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (CID 86830659) is 1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is CCCc1nnc(NC(=O)NC2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is WNIGVFUSTDZBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-2-6-15-20-21-17(24-15)19-16(23)18-13-9-11-22(12-10-13)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H2,18,19,21,23).
What are the key properties of 1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 345.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 86830659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).