3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide

C13H17N5OS — CID 103383364

IUPAC3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(Cc1ccccn1)c1snc(N)c1C(=O)NC
InChIInChI=1S/C13H17N5OS/c1-3-18(8-9-6-4-5-7-16-9)13-10(12(19)15-2)11(14)17-20-13/h4-7H,3,8H2,1-2H3,(H2,14,17)(H,15,19)
InChIKeyXFOXQZTYELSPSY-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103383364) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103383364
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(Cc1ccccn1)c1snc(N)c1C(=O)NC
InChIInChI=1S/C13H17N5OS/c1-3-18(8-9-6-4-5-7-16-9)13-10(12(19)15-2)11(14)17-20-13/h4-7H,3,8H2,1-2H3,(H2,14,17)(H,15,19)
InChIKeyXFOXQZTYELSPSY-UHFFFAOYSA-N
XLogP1.51
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364459
ethyl 3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379481
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379544
3-amino-4-cyano-5-[ethyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
CID 103505469
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81439693
3-amino-N-methyl-4-[methyl(pyridin-2-ylmethyl)amino]benzamide
CID 82988706
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851701
2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569601
3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380561

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103383364) is 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide is CCN(Cc1ccccn1)c1snc(N)c1C(=O)NC.
What is the InChIKey of 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is XFOXQZTYELSPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-18(8-9-6-4-5-7-16-9)13-10(12(19)15-2)11(14)17-20-13/h4-7H,3,8H2,1-2H3,(H2,14,17)(H,15,19).
What are the key properties of 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(pyridin-2-ylmethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103383364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).