6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine

C19H15N5S — CID 108779877

IUPAC6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
SMILESc1ccc(-c2ccc(NCc3csc(-c4ccccn4)n3)nn2)cc1
InChIInChI=1S/C19H15N5S/c1-2-6-14(7-3-1)16-9-10-18(24-23-16)21-12-15-13-25-19(22-15)17-8-4-5-11-20-17/h1-11,13H,12H2,(H,21,24)
InChIKeyNFXHFBMRBBXZAV-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.27
Rot. Bonds5

About 6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine

6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine (PubChem CID 108779877) has the molecular formula C19H15N5S and a molecular weight of 345.43 g/mol. Its IUPAC name is 6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
PubChem CID108779877
Molecular FormulaC19H15N5S
Molecular Weight345.43 g/mol
Exact Mass345.10
IUPAC Name6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
SMILESc1ccc(-c2ccc(NCc3csc(-c4ccccn4)n3)nn2)cc1
InChIInChI=1S/C19H15N5S/c1-2-6-14(7-3-1)16-9-10-18(24-23-16)21-12-15-13-25-19(22-15)17-8-4-5-11-20-17/h1-11,13H,12H2,(H,21,24)
InChIKeyNFXHFBMRBBXZAV-UHFFFAOYSA-N
XLogP4.27
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine
CID 108779736
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505627
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
4-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 99833986
3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234391
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
CID 43234404

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine (CID 108779877) is 6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine is c1ccc(-c2ccc(NCc3csc(-c4ccccn4)n3)nn2)cc1.
What is the InChIKey of 6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
The InChIKey is NFXHFBMRBBXZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5S/c1-2-6-14(7-3-1)16-9-10-18(24-23-16)21-12-15-13-25-19(22-15)17-8-4-5-11-20-17/h1-11,13H,12H2,(H,21,24).
What are the key properties of 6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine?
6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine has a molecular weight of 345.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 108779877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).