1-pent-4-ynyl-3-(thiadiazol-5-yl)urea

C8H10N4OS — CID 118947614

IUPAC1-pent-4-ynyl-3-(thiadiazol-5-yl)urea
SMILESC#CCCCNC(=O)Nc1cnns1
InChIInChI=1S/C8H10N4OS/c1-2-3-4-5-9-8(13)11-7-6-10-12-14-7/h1,6H,3-5H2,(H2,9,11,13)
InChIKeyJKNRAUHYYNMFHW-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.07
Rot. Bonds4

About 1-pent-4-ynyl-3-(thiadiazol-5-yl)urea

1-pent-4-ynyl-3-(thiadiazol-5-yl)urea (PubChem CID 118947614) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-pent-4-ynyl-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-pent-4-ynyl-3-(thiadiazol-5-yl)urea
PubChem CID118947614
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name1-pent-4-ynyl-3-(thiadiazol-5-yl)urea
SMILESC#CCCCNC(=O)Nc1cnns1
InChIInChI=1S/C8H10N4OS/c1-2-3-4-5-9-8(13)11-7-6-10-12-14-7/h1,6H,3-5H2,(H2,9,11,13)
InChIKeyJKNRAUHYYNMFHW-UHFFFAOYSA-N
XLogP1.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-1-methyl-3-(thiadiazol-5-yl)urea
CID 86807489
1-Butyl-1-ethyl-3-(thiadiazol-5-yl)urea
CID 99836113
N-Cyclohexyl-N'-1,2,3-thiadiazol-5-ylurea
CID 13729971
N-Cyclopentyl-N'-1,2,3-thiadiazol-5-ylurea
CID 23044826
1-(Thiadiazol-5-yl)-3-(2,2,2-trifluoroethyl)urea
CID 107649831
1-(2-Fluoroethyl)-3-(thiadiazol-5-yl)urea
CID 130668369
1-(1-Fluoropropan-2-yl)-3-(thiadiazol-5-yl)urea
CID 130679934
1,1-Dimethyl-3-(1,2,3-thiadiazol-5-yl)urea
CID 1499050
N-Methyl-N'-1,2,3-thiadiazol-5-ylurea
CID 13729976
N,N'-Dimethyl-N-1,2,3-thiadiazol-5-ylurea
CID 13729978
1-Butyl-3-(thiadiazol-5-yl)urea
CID 103279685
N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 107649832

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynyl-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-pent-4-ynyl-3-(thiadiazol-5-yl)urea (CID 118947614) is 1-pent-4-ynyl-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-pent-4-ynyl-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-pent-4-ynyl-3-(thiadiazol-5-yl)urea is C#CCCCNC(=O)Nc1cnns1.
What is the InChIKey of 1-pent-4-ynyl-3-(thiadiazol-5-yl)urea?
The InChIKey is JKNRAUHYYNMFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-2-3-4-5-9-8(13)11-7-6-10-12-14-7/h1,6H,3-5H2,(H2,9,11,13).
What are the key properties of 1-pent-4-ynyl-3-(thiadiazol-5-yl)urea?
1-pent-4-ynyl-3-(thiadiazol-5-yl)urea has a molecular weight of 210.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynyl-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).