4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one

C17H17ClN4OS — CID 133335715

IUPAC4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one
SMILESCCc1cnc(C(C)Nc2cnn(-c3ccccc3)c(=O)c2Cl)s1
InChIInChI=1S/C17H17ClN4OS/c1-3-13-9-19-16(24-13)11(2)21-14-10-20-22(17(23)15(14)18)12-7-5-4-6-8-12/h4-11,21H,3H2,1-2H3
InChIKeySMTDCZHDMMVKDN-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.08
Rot. Bonds5

About 4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one

4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one (PubChem CID 133335715) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one
PubChem CID133335715
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one
SMILESCCc1cnc(C(C)Nc2cnn(-c3ccccc3)c(=O)c2Cl)s1
InChIInChI=1S/C17H17ClN4OS/c1-3-13-9-19-16(24-13)11(2)21-14-10-20-22(17(23)15(14)18)12-7-5-4-6-8-12/h4-11,21H,3H2,1-2H3
InChIKeySMTDCZHDMMVKDN-UHFFFAOYSA-N
XLogP4.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 9109290
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269859
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 115681189
4-chloro-2-phenyl-5-[1-(1-phenyltriazol-4-yl)ethylamino]pyridazin-3-one
CID 133365427
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine
CID 106579895
4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one
CID 78805465
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-bromo-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-prop-2-ynylpyridazin-3-one
CID 114441358
5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 99804901
4-chloro-2-phenyl-5-[(2Z)-2-propylidenehydrazinyl]pyridazin-3-one
CID 6054872

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one (CID 133335715) is 4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one is CCc1cnc(C(C)Nc2cnn(-c3ccccc3)c(=O)c2Cl)s1.
What is the InChIKey of 4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one?
The InChIKey is SMTDCZHDMMVKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-3-13-9-19-16(24-13)11(2)21-14-10-20-22(17(23)15(14)18)12-7-5-4-6-8-12/h4-11,21H,3H2,1-2H3.
What are the key properties of 4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one?
4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one has a molecular weight of 360.87 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one is sourced from PubChem (CID 133335715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).