N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

C12H15N5OS — CID 80624431

IUPACN-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)c1nnc(NC)s1
InChIInChI=1S/C12H15N5OS/c1-3-17(8-9-6-4-5-7-14-9)11(18)10-15-16-12(13-2)19-10/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyVYFRXWLVEKKIBF-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.64
Rot. Bonds5

About N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80624431) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80624431
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)c1nnc(NC)s1
InChIInChI=1S/C12H15N5OS/c1-3-17(8-9-6-4-5-7-14-9)11(18)10-15-16-12(13-2)19-10/h4-7H,3,8H2,1-2H3,(H,13,16)
InChIKeyVYFRXWLVEKKIBF-UHFFFAOYSA-N
XLogP1.64
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615363
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518344
5-amino-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81316352
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 103741244
4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 50948158
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618
2-[ethyl(pyridin-2-ylmethylcarbamoyl)amino]acetic acid
CID 61191924

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80624431) is N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is CCN(Cc1ccccn1)C(=O)c1nnc(NC)s1.
What is the InChIKey of N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VYFRXWLVEKKIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-3-17(8-9-6-4-5-7-14-9)11(18)10-15-16-12(13-2)19-10/h4-7H,3,8H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(methylamino)-N-(pyridin-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80624431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).