1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

C11H18N4OS — CID 47197734

IUPAC1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)NC2CCCCC2C)s1
InChIInChI=1S/C11H18N4OS/c1-7-5-3-4-6-9(7)12-10(16)13-11-15-14-8(2)17-11/h7,9H,3-6H2,1-2H3,(H2,12,13,15,16)
InChIKeySSHVNVOKVBOELQ-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.55
Rot. Bonds2

About 1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 47197734) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID47197734
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)NC2CCCCC2C)s1
InChIInChI=1S/C11H18N4OS/c1-7-5-3-4-6-9(7)12-10(16)13-11-15-14-8(2)17-11/h7,9H,3-6H2,1-2H3,(H2,12,13,15,16)
InChIKeySSHVNVOKVBOELQ-UHFFFAOYSA-N
XLogP2.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea
CID 167749021
1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 128635933
cis-(1R,2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2169381
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea
CID 110932980
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
2-acetamido-N-[(1S,2R)-2-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 94164490
1-(2-hydroxycyclohexyl)-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 110932992
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 11924446
1-ethyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 21417198
(2-methylcyclohexyl)urea
CID 3345444
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 47197734) is 1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is Cc1nnc(NC(=O)NC2CCCCC2C)s1.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is SSHVNVOKVBOELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-5-3-4-6-9(7)12-10(16)13-11-15-14-8(2)17-11/h7,9H,3-6H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 254.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47197734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).