1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea

C10H14N6OS2 — CID 118398328

IUPAC1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea
SMILESCc1nccn1CCCNC(=O)Nc1n[nH]sc1=S
InChIInChI=1S/C10H14N6OS2/c1-7-11-4-6-16(7)5-2-3-12-10(17)13-8-9(18)19-15-14-8/h4,6,15H,2-3,5H2,1H3,(H2,12,13,14,17)
InChIKeyXQLNTXUIGSQOAY-UHFFFAOYSA-N
MW298.40 g/mol
LogP1.92
Rot. Bonds5

About 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea

1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea (PubChem CID 118398328) has the molecular formula C10H14N6OS2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea
PubChem CID118398328
Molecular FormulaC10H14N6OS2
Molecular Weight298.40 g/mol
Exact Mass298.07
IUPAC Name1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea
SMILESCc1nccn1CCCNC(=O)Nc1n[nH]sc1=S
InChIInChI=1S/C10H14N6OS2/c1-7-11-4-6-16(7)5-2-3-12-10(17)13-8-9(18)19-15-14-8/h4,6,15H,2-3,5H2,1H3,(H2,12,13,14,17)
InChIKeyXQLNTXUIGSQOAY-UHFFFAOYSA-N
XLogP1.92
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 51085276
1-[(1-hydroxycycloheptyl)methyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111507214
1-[3-(2-methylimidazol-1-yl)propyl]-3-(2-methylsulfanylcyclohexyl)urea
CID 75421906
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 95930538
1-[4-(2-methylimidazol-1-yl)butyl]-3-[[(2R)-2-methylthiolan-2-yl]methyl]urea
CID 97074746
1-[3-(2-methylimidazol-1-yl)propyl]-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 55835183
(2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide
CID 96524441
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 60546601
N-[3-(2-methylimidazol-1-yl)propyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 119041239
1-[3-(2-methylimidazol-1-yl)propyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 75420265
1-ethyl-1-methyl-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 71868078
1-[4-(2-methylimidazol-1-yl)butyl]-3-(oxolan-3-ylmethyl)urea
CID 71990464

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea?
The IUPAC name of 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea (CID 118398328) is 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea.
What is the SMILES notation for 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea?
The canonical SMILES for 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea is Cc1nccn1CCCNC(=O)Nc1n[nH]sc1=S.
What is the InChIKey of 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea?
The InChIKey is XQLNTXUIGSQOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS2/c1-7-11-4-6-16(7)5-2-3-12-10(17)13-8-9(18)19-15-14-8/h4,6,15H,2-3,5H2,1H3,(H2,12,13,14,17).
What are the key properties of 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea?
1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea has a molecular weight of 298.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea is sourced from PubChem (CID 118398328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).