1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea

C12H18N4OS — CID 167749021

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea
SMILESCC1CCCC1NC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H18N4OS/c1-7-3-2-4-9(7)13-11(17)14-12-16-15-10(18-12)8-5-6-8/h7-9H,2-6H2,1H3,(H2,13,14,16,17)
InChIKeyZCADBCGPGKBQTN-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.73
Rot. Bonds3

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea (PubChem CID 167749021) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea
PubChem CID167749021
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea
SMILESCC1CCCC1NC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H18N4OS/c1-7-3-2-4-9(7)13-11(17)14-12-16-15-10(18-12)8-5-6-8/h7-9H,2-6H2,1H3,(H2,13,14,16,17)
InChIKeyZCADBCGPGKBQTN-UHFFFAOYSA-N
XLogP2.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylcyclohexyl)-3-[5-(oxan-4-yl)-1,3,4-thiadiazol-2-yl]urea
CID 128635933
1-(2-methylcyclohexyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 47197734
cis-methyl (1S,2R)-2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylate
CID 95971777
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,2R)-2-ethylsulfanylcyclopentyl]urea
CID 97030065
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5-methyl-2-propan-2-ylcyclohexyl)urea
CID 47048319
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 51946372
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-3-methylbutan-2-yl]urea
CID 52593631
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
CID 47196431
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2932957
N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123932745
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)but-2-enamide
CID 4799650

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea (CID 167749021) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea is CC1CCCC1NC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea?
The InChIKey is ZCADBCGPGKBQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-7-3-2-4-9(7)13-11(17)14-12-16-15-10(18-12)8-5-6-8/h7-9H,2-6H2,1H3,(H2,13,14,16,17).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea has a molecular weight of 266.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2-methylcyclopentyl)urea is sourced from PubChem (CID 167749021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).