1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea

C10H16N4OS2 — CID 125140786

IUPAC1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESC=CC[C@H](CC)NC(=O)Nc1nc(SC)ns1
InChIInChI=1S/C10H16N4OS2/c1-4-6-7(5-2)11-8(15)12-9-13-10(16-3)14-17-9/h4,7H,1,5-6H2,2-3H3,(H2,11,12,13,14,15)/t7-/m0/s1
InChIKeyAZFKVIRXTOXBET-ZETCQYMHSA-N
MW272.40 g/mol
LogP2.74
Rot. Bonds6

About 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea

1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 125140786) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID125140786
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESC=CC[C@H](CC)NC(=O)Nc1nc(SC)ns1
InChIInChI=1S/C10H16N4OS2/c1-4-6-7(5-2)11-8(15)12-9-13-10(16-3)14-17-9/h4,7H,1,5-6H2,2-3H3,(H2,11,12,13,14,15)/t7-/m0/s1
InChIKeyAZFKVIRXTOXBET-ZETCQYMHSA-N
XLogP2.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-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

2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
CID 130671631
1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 124886093
1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 3765876
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea
CID 124887450
1-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 154756033
1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 71968790
1-(4-fluorophenyl)-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 3671778
2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide
CID 129432653
trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 97018747
1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 2456827
3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2994551
1-[(3S)-hex-5-en-3-yl]-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 129432308

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea (CID 125140786) is 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea is C=CC[C@H](CC)NC(=O)Nc1nc(SC)ns1.
What is the InChIKey of 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is AZFKVIRXTOXBET-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4OS2/c1-4-6-7(5-2)11-8(15)12-9-13-10(16-3)14-17-9/h4,7H,1,5-6H2,2-3H3,(H2,11,12,13,14,15)/t7-/m0/s1.
What are the key properties of 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 272.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 125140786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).