5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

C11H10ClN3S — CID 91620777

IUPAC5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C11H10ClN3S/c1-2-6-13-11-15-14-10(16-11)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,13,15)
InChIKeyQQAXTEPYLRPLSZ-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.46
Rot. Bonds4

About 5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (PubChem CID 91620777) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
PubChem CID91620777
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
SMILESC=CCNc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C11H10ClN3S/c1-2-6-13-11-15-14-10(16-11)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,13,15)
InChIKeyQQAXTEPYLRPLSZ-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45265519
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 121006251
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylamino)butanamide
CID 166218686
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729813
5-(4-nitrophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 86178126
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 119745197
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 68801294
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537951
2-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140336
5-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 7797996
4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
CID 120589978

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine (CID 91620777) is 5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is C=CCNc1nnc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QQAXTEPYLRPLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c1-2-6-13-11-15-14-10(16-11)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,13,15).
What are the key properties of 5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine?
5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine has a molecular weight of 251.74 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 91620777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).