4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid

C19H20N4O4S — CID 86671254

IUPAC4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)sc1C(=O)O
InChIInChI=1S/C19H20N4O4S/c1-11-17(18(25)26)28-19(21-11)22-15(24)9-12-5-4-6-14-13(12)10-20-23(14)16-7-2-3-8-27-16/h4-6,10,16H,2-3,7-9H2,1H3,(H,25,26)(H,21,22,24)
InChIKeyBGSMPZPJHCJTAF-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.38
Rot. Bonds5

About 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 86671254) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID86671254
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)sc1C(=O)O
InChIInChI=1S/C19H20N4O4S/c1-11-17(18(25)26)28-19(21-11)22-15(24)9-12-5-4-6-14-13(12)10-20-23(14)16-7-2-3-8-27-16/h4-6,10,16H,2-3,7-9H2,1H3,(H,25,26)(H,21,22,24)
InChIKeyBGSMPZPJHCJTAF-UHFFFAOYSA-N
XLogP3.38
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

methyl 2-[[2-[[2-[1-[(2S)-oxan-2-yl]indazol-4-yl]acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate
CID 88897965
methyl (2S)-2-[[2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate
CID 88897966
Methyl 2-[[2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoate
CID 88897967
4-(7-Acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)benzoic acid
CID 59255717
2-[3-(1H-Indazol-4-yl)-propylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester
CID 86671252
4-Methyl-2-{2-[1-(tetrahydro-pyran-2-yl)-1H-indazol-4-yl]-acetylamino}-thiazole-5-carboxylic acid ethyl ester
CID 86671253
(S)-3-tert-Butoxycarbonylamino-2-[(4-methyl-2-{2-[1-(tetrahydro-pyran-2-yl)-1H-indazol-4-yl]-acetylamino}-thiazole-5-carbonyl)-amino]-propionic acid methyl ester
CID 86671256
ethyl 2-[3-(1H-indazol-4-yl)propylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 88897852
methyl (2S)-2-[[2-[[2-(1H-indazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 88897855
methyl 2-[[2-[[2-(1H-indazol-4-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 88897856
methyl 2-[[4-methyl-2-[[2-[1-[(2S)-oxan-2-yl]indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 88897884
Methyl 2-[[4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 88897885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid (CID 86671254) is 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is BGSMPZPJHCJTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-11-17(18(25)26)28-19(21-11)22-15(24)9-12-5-4-6-14-13(12)10-20-23(14)16-7-2-3-8-27-16/h4-6,10,16H,2-3,7-9H2,1H3,(H,25,26)(H,21,22,24).
What are the key properties of 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 400.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 86671254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).