N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide

C14H19N5OS — CID 104670033

IUPACN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCCNC(C)c1csc(NC(=O)c2cc(C)nnc2C)n1
InChIInChI=1S/C14H19N5OS/c1-5-15-10(4)12-7-21-14(16-12)17-13(20)11-6-8(2)18-19-9(11)3/h6-7,10,15H,5H2,1-4H3,(H,16,17,20)
InChIKeyIVXBZAHACHOKIF-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.47
Rot. Bonds5

About N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104670033) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104670033
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCCNC(C)c1csc(NC(=O)c2cc(C)nnc2C)n1
InChIInChI=1S/C14H19N5OS/c1-5-15-10(4)12-7-21-14(16-12)17-13(20)11-6-8(2)18-19-9(11)3/h6-7,10,15H,5H2,1-4H3,(H,16,17,20)
InChIKeyIVXBZAHACHOKIF-UHFFFAOYSA-N
XLogP2.47
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555687
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide
CID 64558466
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014646
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide
CID 107675636
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151630
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 64558469
3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153399
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 64558061
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 64557469
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 64558266
2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 64557088

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide (CID 104670033) is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide is CCNC(C)c1csc(NC(=O)c2cc(C)nnc2C)n1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is IVXBZAHACHOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-5-15-10(4)12-7-21-14(16-12)17-13(20)11-6-8(2)18-19-9(11)3/h6-7,10,15H,5H2,1-4H3,(H,16,17,20).
What are the key properties of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide?
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104670033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).