N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C14H17N3O2S2 — CID 35179632

IUPACN-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(OC)c(CSc2nnc(NC3CC3)s2)c1
InChIInChI=1S/C14H17N3O2S2/c1-18-11-5-6-12(19-2)9(7-11)8-20-14-17-16-13(21-14)15-10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,15,16)
InChIKeySCEPUHWSCVXLLG-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.42
Rot. Bonds7

About N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 35179632) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID35179632
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(OC)c(CSc2nnc(NC3CC3)s2)c1
InChIInChI=1S/C14H17N3O2S2/c1-18-11-5-6-12(19-2)9(7-11)8-20-14-17-16-13(21-14)15-10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,15,16)
InChIKeySCEPUHWSCVXLLG-UHFFFAOYSA-N
XLogP3.42
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2,5-dimethoxyphenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 8848932
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 8674537
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4-dimethoxyphenyl)ethanone
CID 2110312
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 8674430
5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 17435424
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8674414
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 7629636
N-(5-chloro-2-methoxyphenyl)-2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8674472
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 37135758
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-cyclohexyl-1,3,4-thiadiazol-2-amine
CID 17463397
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole
CID 47115897
3-[[5-[(5-formyl-2-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methoxybenzaldehyde
CID 55754060

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 35179632) is N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is COc1ccc(OC)c(CSc2nnc(NC3CC3)s2)c1.
What is the InChIKey of N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SCEPUHWSCVXLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-18-11-5-6-12(19-2)9(7-11)8-20-14-17-16-13(21-14)15-10-3-4-10/h5-7,10H,3-4,8H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 323.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 35179632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).