5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine

C14H19N3S2 — CID 80614565

IUPAC5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CSCc2ccccc2C)s1
InChIInChI=1S/C14H19N3S2/c1-3-8-15-14-17-16-13(19-14)10-18-9-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyFHKOKBLLIOPNLH-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.10
Rot. Bonds7

About 5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80614565) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80614565
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CSCc2ccccc2C)s1
InChIInChI=1S/C14H19N3S2/c1-3-8-15-14-17-16-13(19-14)10-18-9-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyFHKOKBLLIOPNLH-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(N-ethyl-2-methylanilino)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607716
methyl 2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]acetate
CID 80613950
5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614644
5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
CID 63485717
5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 106495750
5-[[benzyl(propan-2-yl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80611385
5-[(2-bromophenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607857
5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80613661
5-[(4-methylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607851
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
6-methyl-1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyridin-2-one
CID 80608186
5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64625511

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80614565) is 5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CSCc2ccccc2C)s1.
What is the InChIKey of 5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FHKOKBLLIOPNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-3-8-15-14-17-16-13(19-14)10-18-9-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of 5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 293.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).