N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C21H23N5O2S — CID 121027807

IUPACN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3ccc(N4CCCC4)nn3)cs2)cc1
InChIInChI=1S/C21H23N5O2S/c1-28-17-6-4-15(5-7-17)21-23-16(14-29-21)10-11-22-20(27)18-8-9-19(25-24-18)26-12-2-3-13-26/h4-9,14H,2-3,10-13H2,1H3,(H,22,27)
InChIKeyHJUHTIDNUXRBBQ-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.18
Rot. Bonds7

About N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027807) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID121027807
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3ccc(N4CCCC4)nn3)cs2)cc1
InChIInChI=1S/C21H23N5O2S/c1-28-17-6-4-15(5-7-17)21-23-16(14-29-21)10-11-22-20(27)18-8-9-19(25-24-18)26-12-2-3-13-26/h4-9,14H,2-3,10-13H2,1H3,(H,22,27)
InChIKeyHJUHTIDNUXRBBQ-UHFFFAOYSA-N
XLogP3.18
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028016
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028008
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317498
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
CID 7518434
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119214
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093
2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 117088936
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 121027807) is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3ccc(N4CCCC4)nn3)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is HJUHTIDNUXRBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-28-17-6-4-15(5-7-17)21-23-16(14-29-21)10-11-22-20(27)18-8-9-19(25-24-18)26-12-2-3-13-26/h4-9,14H,2-3,10-13H2,1H3,(H,22,27).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).