2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide

C13H17N5OS — CID 103361438

IUPAC2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1snc(N)c1-c1ccncc1
InChIInChI=1S/C13H17N5OS/c1-3-16-10(19)8-18(2)13-11(12(14)17-20-13)9-4-6-15-7-5-9/h4-7H,3,8H2,1-2H3,(H2,14,17)(H,16,19)
InChIKeyJPEPWBFDRBABFY-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.36
Rot. Bonds5

About 2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide

2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide (PubChem CID 103361438) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
PubChem CID103361438
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1snc(N)c1-c1ccncc1
InChIInChI=1S/C13H17N5OS/c1-3-16-10(19)8-18(2)13-11(12(14)17-20-13)9-4-6-15-7-5-9/h4-7H,3,8H2,1-2H3,(H2,14,17)(H,16,19)
InChIKeyJPEPWBFDRBABFY-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide (CID 103361438) is 2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1snc(N)c1-c1ccncc1.
What is the InChIKey of 2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide?
The InChIKey is JPEPWBFDRBABFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-16-10(19)8-18(2)13-11(12(14)17-20-13)9-4-6-15-7-5-9/h4-7H,3,8H2,1-2H3,(H2,14,17)(H,16,19).
What are the key properties of 2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide?
2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 103361438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).