1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea

C16H22N6OS — CID 51105910

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESCc1nnc(NC(=O)NC2CCN(CCc3ccncc3)CC2)s1
InChIInChI=1S/C16H22N6OS/c1-12-20-21-16(24-12)19-15(23)18-14-5-10-22(11-6-14)9-4-13-2-7-17-8-3-13/h2-3,7-8,14H,4-6,9-11H2,1H3,(H2,18,19,21,23)
InChIKeyRFUFDZUGUAJXRN-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.07
Rot. Bonds5

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

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea (PubChem CID 51105910) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
PubChem CID51105910
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESCc1nnc(NC(=O)NC2CCN(CCc3ccncc3)CC2)s1
InChIInChI=1S/C16H22N6OS/c1-12-20-21-16(24-12)19-15(23)18-14-5-10-22(11-6-14)9-4-13-2-7-17-8-3-13/h2-3,7-8,14H,4-6,9-11H2,1H3,(H2,18,19,21,23)
InChIKeyRFUFDZUGUAJXRN-UHFFFAOYSA-N
XLogP2.07
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 110922221
1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
CID 95336201
(2R)-2-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]pentanamide
CID 95279933
2-methyl-5-oxo-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 119043237
5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119043018
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2,4,6-trimethylphenyl)urea
CID 47049556
N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-6-azaspiro[2.5]octane-2-carboxamide
CID 167806712
2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
CID 86878046
6-fluoro-2,3-dimethoxy-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
CID 119045458
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea (CID 51105910) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea is Cc1nnc(NC(=O)NC2CCN(CCc3ccncc3)CC2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea?
The InChIKey is RFUFDZUGUAJXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-12-20-21-16(24-12)19-15(23)18-14-5-10-22(11-6-14)9-4-13-2-7-17-8-3-13/h2-3,7-8,14H,4-6,9-11H2,1H3,(H2,18,19,21,23).
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea has a molecular weight of 346.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 51105910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).