6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide

C17H22N4OS — CID 133346231

IUPAC6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(C)c2csc(C(C)C)n2)nc1
InChIInChI=1S/C17H22N4OS/c1-5-8-18-16(22)13-6-7-15(19-9-13)20-12(4)14-10-23-17(21-14)11(2)3/h5-7,9-12H,1,8H2,2-4H3,(H,18,22)(H,19,20)
InChIKeyCFQKZIYHDLDQJS-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.75
Rot. Bonds7

About 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide

6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133346231) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133346231
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(C)c2csc(C(C)C)n2)nc1
InChIInChI=1S/C17H22N4OS/c1-5-8-18-16(22)13-6-7-15(19-9-13)20-12(4)14-10-23-17(21-14)11(2)3/h5-7,9-12H,1,8H2,2-4H3,(H,18,22)(H,19,20)
InChIKeyCFQKZIYHDLDQJS-UHFFFAOYSA-N
XLogP3.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 133346198
5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 97317778
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 75374086
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133350466
5-(propan-2-ylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109271353
6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133454326
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
6-[[3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 71875696
6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97017820

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide (CID 133346231) is 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NC(C)c2csc(C(C)C)n2)nc1.
What is the InChIKey of 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is CFQKZIYHDLDQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-5-8-18-16(22)13-6-7-15(19-9-13)20-12(4)14-10-23-17(21-14)11(2)3/h5-7,9-12H,1,8H2,2-4H3,(H,18,22)(H,19,20).
What are the key properties of 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide?
6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133346231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).