3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide

C14H14N4O2S — CID 104671780

IUPAC3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C14H14N4O2S/c1-3-12-11(7-9(2)17-18-12)13(20)16-14-15-8-10(21-14)5-4-6-19/h7-8,19H,3,6H2,1-2H3,(H,15,16,20)
InChIKeyWCTOYBSBSFPOPI-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.40
Rot. Bonds3

About 3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide

3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide (PubChem CID 104671780) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide
PubChem CID104671780
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ncc(C#CCO)s1
InChIInChI=1S/C14H14N4O2S/c1-3-12-11(7-9(2)17-18-12)13(20)16-14-15-8-10(21-14)5-4-6-19/h7-8,19H,3,6H2,1-2H3,(H,15,16,20)
InChIKeyWCTOYBSBSFPOPI-UHFFFAOYSA-N
XLogP1.40
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 60801885
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 60800833
2,5-dibromo-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 107963837
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60801691
5-chloro-2-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60801881
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 82798665
3-ethoxy-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
CID 62588240
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60800822
2-(3,5-dimethylpyrazol-1-yl)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide
CID 60800509
2,6-difluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60799964
3-(dimethylamino)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60801542
2-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 60805098

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide (CID 104671780) is 3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ncc(C#CCO)s1.
What is the InChIKey of 3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide?
The InChIKey is WCTOYBSBSFPOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-3-12-11(7-9(2)17-18-12)13(20)16-14-15-8-10(21-14)5-4-6-19/h7-8,19H,3,6H2,1-2H3,(H,15,16,20).
What are the key properties of 3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide?
3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104671780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).