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

C16H27N5OS — CID 46984021

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
SMILESCc1nsc(NC(=O)NCC2(N3CCCCC3)CCCCC2)n1
InChIInChI=1S/C16H27N5OS/c1-13-18-15(23-20-13)19-14(22)17-12-16(8-4-2-5-9-16)21-10-6-3-7-11-21/h2-12H2,1H3,(H2,17,18,19,20,22)
InChIKeyROAMRNLYARBDAU-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.16
Rot. Bonds4

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

1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea (PubChem CID 46984021) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
PubChem CID46984021
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
SMILESCc1nsc(NC(=O)NCC2(N3CCCCC3)CCCCC2)n1
InChIInChI=1S/C16H27N5OS/c1-13-18-15(23-20-13)19-14(22)17-12-16(8-4-2-5-9-16)21-10-6-3-7-11-21/h2-12H2,1H3,(H2,17,18,19,20,22)
InChIKeyROAMRNLYARBDAU-UHFFFAOYSA-N
XLogP3.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[1-(piperidin-1-ylmethyl)cyclohexyl]urea
CID 46982195
N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[1-(morpholin-4-ylmethyl)cyclohexyl]urea
CID 46989504
N-(1-methylpiperidin-3-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46990307
4-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46984917
(4aS*,8aR*)-N-(3-methyl-1,2,4-thiadiazol-5-yl)octahydroisoquinoline-2(1H)-carboxamide
CID 46985045
N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-azaspiro[2.5]octane-4-carboxamide
CID 46985954
3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46986528
1,1-Dicyclohexyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 11416022
3-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46985285
N-(3-methyl-1,2,4-thiadiazol-5-yl)-N'-[(1-morpholin-4-ylcycloheptyl)methyl]urea
CID 46992982
(3R)-3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 52383307
(3S)-3-(aminomethyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 52383309

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea (CID 46984021) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea is Cc1nsc(NC(=O)NCC2(N3CCCCC3)CCCCC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
The InChIKey is ROAMRNLYARBDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-13-18-15(23-20-13)19-14(22)17-12-16(8-4-2-5-9-16)21-10-6-3-7-11-21/h2-12H2,1H3,(H2,17,18,19,20,22).
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea has a molecular weight of 337.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea is sourced from PubChem (CID 46984021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).