1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea

C10H16N4OS — CID 47191642

IUPAC1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1nncs1)NC1CCCCCC1
InChIInChI=1S/C10H16N4OS/c15-9(13-10-14-11-7-16-10)12-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H2,12,13,14,15)
InChIKeyNFHXIKCIIWWCHZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.38
Rot. Bonds2

About 1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea

1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 47191642) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID47191642
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1nncs1)NC1CCCCCC1
InChIInChI=1S/C10H16N4OS/c15-9(13-10-14-11-7-16-10)12-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H2,12,13,14,15)
InChIKeyNFHXIKCIIWWCHZ-UHFFFAOYSA-N
XLogP2.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,6R)-2,6-dimethylcyclohexyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 95772253
1-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 100839972
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
cis-(1S,2R)-2-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 868773
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
2-amino-N-(1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 64822320
5-(1,3,4-thiadiazol-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102689026
4-(1,3,4-thiadiazol-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216812
2-[cyclohexyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200514
1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 154834706

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea (CID 47191642) is 1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea is O=C(Nc1nncs1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is NFHXIKCIIWWCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c15-9(13-10-14-11-7-16-10)12-8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H2,12,13,14,15).
What are the key properties of 1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea?
1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 240.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47191642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).