N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine

C13H18N4S — CID 133381833

IUPACN-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(N(C)CCc2ccccn2)s1
InChIInChI=1S/C13H18N4S/c1-10(2)12-15-16-13(18-12)17(3)9-7-11-6-4-5-8-14-11/h4-6,8,10H,7,9H2,1-3H3
InChIKeyIIVBUIXAGLFNHR-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.74
Rot. Bonds5

About N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine

N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133381833) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133381833
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(N(C)CCc2ccccn2)s1
InChIInChI=1S/C13H18N4S/c1-10(2)12-15-16-13(18-12)17(3)9-7-11-6-4-5-8-14-11/h4-6,8,10H,7,9H2,1-3H3
InChIKeyIIVBUIXAGLFNHR-UHFFFAOYSA-N
XLogP2.74
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133466920
N-methyl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 166600998
1-[4-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62752452
[2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62752453
1-[2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64543792
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
N-methyl-N-(2-pyridin-2-ylethyl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 166601640
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63960883
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
3-[2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486086
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 133381833) is N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(N(C)CCc2ccccn2)s1.
What is the InChIKey of N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IIVBUIXAGLFNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10(2)12-15-16-13(18-12)17(3)9-7-11-6-4-5-8-14-11/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133381833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).