1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine

C14H18N6S2 — CID 72862925

IUPAC1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCCc1nnc(Cn2cc(-c3cc(CN(C)C)cs3)nn2)s1
InChIInChI=1S/C14H18N6S2/c1-4-13-16-17-14(22-13)8-20-7-11(15-18-20)12-5-10(9-21-12)6-19(2)3/h5,7,9H,4,6,8H2,1-3H3
InChIKeySNBATBQOZYDTQF-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.53
Rot. Bonds6

About 1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine

1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine (PubChem CID 72862925) has the molecular formula C14H18N6S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine
PubChem CID72862925
Molecular FormulaC14H18N6S2
Molecular Weight334.47 g/mol
Exact Mass334.10
IUPAC Name1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine
SMILESCCc1nnc(Cn2cc(-c3cc(CN(C)C)cs3)nn2)s1
InChIInChI=1S/C14H18N6S2/c1-4-13-16-17-14(22-13)8-20-7-11(15-18-20)12-5-10(9-21-12)6-19(2)3/h5,7,9H,4,6,8H2,1-3H3
InChIKeySNBATBQOZYDTQF-UHFFFAOYSA-N
XLogP2.53
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine (CID 72862925) is 1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine is CCc1nnc(Cn2cc(-c3cc(CN(C)C)cs3)nn2)s1.
What is the InChIKey of 1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
The InChIKey is SNBATBQOZYDTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S2/c1-4-13-16-17-14(22-13)8-20-7-11(15-18-20)12-5-10(9-21-12)6-19(2)3/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of 1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine?
1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine has a molecular weight of 334.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]triazol-4-yl]thiophen-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 72862925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).