5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C15H21N3OS2 — CID 30932208

IUPAC5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CCSc2nnc(NCC(C)C)s2)cc1
InChIInChI=1S/C15H21N3OS2/c1-11(2)10-16-14-17-18-15(21-14)20-9-8-12-4-6-13(19-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,17)
InChIKeyCHLIGTKFETUZHS-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.95
Rot. Bonds8

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

5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 30932208) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID30932208
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(CCSc2nnc(NCC(C)C)s2)cc1
InChIInChI=1S/C15H21N3OS2/c1-11(2)10-16-14-17-18-15(21-14)20-9-8-12-4-6-13(19-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,17)
InChIKeyCHLIGTKFETUZHS-UHFFFAOYSA-N
XLogP3.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 36793751
5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 119041712
N-[2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl]acetamide
CID 9476143
N-(4-methoxyphenyl)-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7863691
2-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 17423577
5-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 83380839
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 18269339
4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile
CID 30932144
5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol
CID 60613691
1-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 17455891
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2608166
4-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile
CID 7863581

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 30932208) is 5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is COc1ccc(CCSc2nnc(NCC(C)C)s2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CHLIGTKFETUZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-11(2)10-16-14-17-18-15(21-14)20-9-8-12-4-6-13(19-3)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,16,17).
What are the key properties of 5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 323.49 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 30932208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).