4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide

C13H17N5OS — CID 116669038

IUPAC4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCCc2ccccn2)s1
InChIInChI=1S/C13H17N5OS/c1-2-15-13-18-11(14)10(20-13)12(19)17-8-6-9-5-3-4-7-16-9/h3-5,7H,2,6,8,14H2,1H3,(H,15,18)(H,17,19)
InChIKeyRZTKBARJDFIKLT-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.52
Rot. Bonds6

About 4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116669038) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116669038
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCCc2ccccn2)s1
InChIInChI=1S/C13H17N5OS/c1-2-15-13-18-11(14)10(20-13)12(19)17-8-6-9-5-3-4-7-16-9/h3-5,7H,2,6,8,14H2,1H3,(H,15,18)(H,17,19)
InChIKeyRZTKBARJDFIKLT-UHFFFAOYSA-N
XLogP1.52
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(2-methylpropylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668712
4-amino-2-(tert-butylamino)-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116668709
4-amino-2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116672026
4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665964
4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 116672549
4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664869
2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 62173151
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62172971
4-amino-N-[(3-methyl-2-pyridinyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666104
4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116673637

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 116669038) is 4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCCc2ccccn2)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RZTKBARJDFIKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-2-15-13-18-11(14)10(20-13)12(19)17-8-6-9-5-3-4-7-16-9/h3-5,7H,2,6,8,14H2,1H3,(H,15,18)(H,17,19).
What are the key properties of 4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).