1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea

C14H24N4O2S — CID 110932992

IUPAC1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCC(CC)c1nnc(NC(=O)NC2CCCCC2O)s1
InChIInChI=1S/C14H24N4O2S/c1-3-9(4-2)12-17-18-14(21-12)16-13(20)15-10-7-5-6-8-11(10)19/h9-11,19H,3-8H2,1-2H3,(H2,15,16,18,20)
InChIKeyIHQVDVFYQURCFH-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea

1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 110932992) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID110932992
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCCC(CC)c1nnc(NC(=O)NC2CCCCC2O)s1
InChIInChI=1S/C14H24N4O2S/c1-3-9(4-2)12-17-18-14(21-12)16-13(20)15-10-7-5-6-8-11(10)19/h9-11,19H,3-8H2,1-2H3,(H2,15,16,18,20)
InChIKeyIHQVDVFYQURCFH-UHFFFAOYSA-N
XLogP2.87
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea
CID 110932980
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
3-hydroxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 110890992
1-(2-hydroxyethyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 110908064
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-N'-propan-2-yloxamide
CID 47332757
2-[cyclopropylmethyl-[3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122074783
(3S)-1-cyclopentyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438429
2,2,2-trifluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19194854
1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 47197734
1-cyclohexyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 4683890
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
1-(2,2-dimethylpropanoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17224450

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea (CID 110932992) is 1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea is CCC(CC)c1nnc(NC(=O)NC2CCCCC2O)s1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is IHQVDVFYQURCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-9(4-2)12-17-18-14(21-12)16-13(20)15-10-7-5-6-8-11(10)19/h9-11,19H,3-8H2,1-2H3,(H2,15,16,18,20).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea?
1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 312.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 110932992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).