1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

C12H20N4O2S — CID 111473146

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCCc1nnc(NC(=O)NC2CCCC2(C)CO)s1
InChIInChI=1S/C12H20N4O2S/c1-3-9-15-16-11(19-9)14-10(18)13-8-5-4-6-12(8,2)7-17/h8,17H,3-7H2,1-2H3,(H2,13,14,16,18)
InChIKeyXDTXTZDNHHGJOE-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.77
Rot. Bonds4

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (PubChem CID 111473146) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
PubChem CID111473146
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
SMILESCCc1nnc(NC(=O)NC2CCCC2(C)CO)s1
InChIInChI=1S/C12H20N4O2S/c1-3-9-15-16-11(19-9)14-10(18)13-8-5-4-6-12(8,2)7-17/h8,17H,3-7H2,1-2H3,(H2,13,14,16,18)
InChIKeyXDTXTZDNHHGJOE-UHFFFAOYSA-N
XLogP1.77
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.77
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
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-[2-(cyclopropylamino)-2-oxoethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 9046500
1-(2,6-dimethylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473192
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
1-cyclohexyl-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111470878
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111473384
trans-(1S,2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753029
[(1S,2S)-1-methyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]cyclopentyl]methanol
CID 99700162
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 45205978
2-[[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107642508
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 111506596

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea (CID 111473146) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is CCc1nnc(NC(=O)NC2CCCC2(C)CO)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
The InChIKey is XDTXTZDNHHGJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-9-15-16-11(19-9)14-10(18)13-8-5-4-6-12(8,2)7-17/h8,17H,3-7H2,1-2H3,(H2,13,14,16,18).
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea has a molecular weight of 284.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea is sourced from PubChem (CID 111473146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).