N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine

C11H11Cl2N3S2 — CID 110826684

IUPACN-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCSc1nnc(NCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C11H11Cl2N3S2/c1-2-17-11-16-15-10(18-11)14-6-7-3-4-8(12)5-9(7)13/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyCLPNARIOQKVIDP-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.57
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine

N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 110826684) has the molecular formula C11H11Cl2N3S2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID110826684
Molecular FormulaC11H11Cl2N3S2
Molecular Weight320.27 g/mol
Exact Mass318.98
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCSc1nnc(NCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C11H11Cl2N3S2/c1-2-17-11-16-15-10(18-11)14-6-7-3-4-8(12)5-9(7)13/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyCLPNARIOQKVIDP-UHFFFAOYSA-N
XLogP4.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 110826573
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625293
4-chloro-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3324338
N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 3343317
(2R)-2-(2,4-dichlorophenoxy)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7858558
N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 4710883
2-(4-chloro-2-fluorophenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100627452
5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 46626511
N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133352147
5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
2-[(2,4-dichlorophenyl)methylamino]-4,5,7-trimethyl-1,3-benzothiazol-6-ol
CID 14700370
5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272859

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine (CID 110826684) is N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine is CCSc1nnc(NCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CLPNARIOQKVIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S2/c1-2-17-11-16-15-10(18-11)14-6-7-3-4-8(12)5-9(7)13/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine?
N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 320.27 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 110826684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).