1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

C10H16N4O3S2 — CID 129367136

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)s1
InChIInChI=1S/C10H16N4O3S2/c1-2-3-8-13-14-10(18-8)12-9(15)11-7-4-5-19(16,17)6-7/h7H,2-6H2,1H3,(H2,11,12,14,15)/t7-/m1/s1
InChIKeyGLBRFLKQWDELGS-SSDOTTSWSA-N
MW304.40 g/mol
LogP0.80
Rot. Bonds4

About 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 129367136) has the molecular formula C10H16N4O3S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID129367136
Molecular FormulaC10H16N4O3S2
Molecular Weight304.40 g/mol
Exact Mass304.07
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)s1
InChIInChI=1S/C10H16N4O3S2/c1-2-3-8-13-14-10(18-8)12-9(15)11-7-4-5-19(16,17)6-7/h7H,2-6H2,1H3,(H2,11,12,14,15)/t7-/m1/s1
InChIKeyGLBRFLKQWDELGS-SSDOTTSWSA-N
XLogP0.80
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea with MolForge

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Related Compounds

1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 86830659
N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide
CID 86987716
1-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-thiolan-3-yl]urea
CID 30852188
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
N-[4-[(1,1-dioxothiolan-3-yl)carbamoylamino]phenyl]propanamide
CID 102566392
1-hydroxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 110907147
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9378701
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-methylcyclohexyl)urea
CID 98160954

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (CID 129367136) is 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is CCCc1nnc(NC(=O)N[C@@H]2CCS(=O)(=O)C2)s1.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is GLBRFLKQWDELGS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O3S2/c1-2-3-8-13-14-10(18-8)12-9(15)11-7-4-5-19(16,17)6-7/h7H,2-6H2,1H3,(H2,11,12,14,15)/t7-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 304.40 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 129367136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).