N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine

C13H17N3S2 — CID 118792144

IUPACN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine
SMILESCc1nnc(CN(C)CCSc2ccccc2)s1
InChIInChI=1S/C13H17N3S2/c1-11-14-15-13(18-11)10-16(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyAGVZJLVEZHUNAK-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.07
Rot. Bonds6

About N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine

N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine (PubChem CID 118792144) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine
PubChem CID118792144
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine
SMILESCc1nnc(CN(C)CCSc2ccccc2)s1
InChIInChI=1S/C13H17N3S2/c1-11-14-15-13(18-11)10-16(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyAGVZJLVEZHUNAK-UHFFFAOYSA-N
XLogP3.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine (CID 118792144) is N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine is Cc1nnc(CN(C)CCSc2ccccc2)s1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine?
The InChIKey is AGVZJLVEZHUNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-11-14-15-13(18-11)10-16(2)8-9-17-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine?
N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine has a molecular weight of 279.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2-phenylsulfanylethanamine is sourced from PubChem (CID 118792144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).