2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole

C19H16N4S — CID 143017487

IUPAC2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole
SMILESC=C(C)c1nc(-c2[nH]nc3c(C)cccc23)sc1-c1cccnc1
InChIInChI=1S/C19H16N4S/c1-11(2)15-18(13-7-5-9-20-10-13)24-19(21-15)17-14-8-4-6-12(3)16(14)22-23-17/h4-10H,1H2,2-3H3,(H,22,23)
InChIKeyWBWVBLRHLFXFNB-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.09
Rot. Bonds3

About 2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole

2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole (PubChem CID 143017487) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole
PubChem CID143017487
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole
SMILESC=C(C)c1nc(-c2[nH]nc3c(C)cccc23)sc1-c1cccnc1
InChIInChI=1S/C19H16N4S/c1-11(2)15-18(13-7-5-9-20-10-13)24-19(21-15)17-14-8-4-6-12(3)16(14)22-23-17/h4-10H,1H2,2-3H3,(H,22,23)
InChIKeyWBWVBLRHLFXFNB-UHFFFAOYSA-N
XLogP5.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole
CID 143017598
1-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]ethanone
CID 143017591
N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpyrrolidin-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 23590827
[2-(7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 22259239
methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
CID 23590807
2-(7-methyl-2H-indazol-3-yl)-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxylic acid
CID 22259210
2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carbaldehyde
CID 22259253
[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 22259204
[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone
CID 23590755
(3S)-1-[1-[5-[6-(3,5-dimethylpiperazin-1-yl)-3-pyridinyl]-2-(7-methyl-2H-indazol-3-yl)-1,3-thiazol-4-yl]ethenyl]pyrrolidin-3-ol
CID 143017690
[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 22259160
N'-[2-[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]propan-2-yl]ethane-1,2-diamine
CID 143017492

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole (CID 143017487) is 2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole is C=C(C)c1nc(-c2[nH]nc3c(C)cccc23)sc1-c1cccnc1.
What is the InChIKey of 2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole?
The InChIKey is WBWVBLRHLFXFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-11(2)15-18(13-7-5-9-20-10-13)24-19(21-15)17-14-8-4-6-12(3)16(14)22-23-17/h4-10H,1H2,2-3H3,(H,22,23).
What are the key properties of 2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole?
2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole has a molecular weight of 332.43 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2H-indazol-3-yl)-4-prop-1-en-2-yl-5-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 143017487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).