N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide

C15H12N4O2S — CID 45284124

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)n1
InChIInChI=1S/C15H12N4O2S/c1-19-7-6-10(18-19)14(20)17-15-16-13-9-4-2-3-5-11(9)21-8-12(13)22-15/h2-7H,8H2,1H3,(H,16,17,20)
InChIKeyHBJOUBOYWUEPNR-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.69
Rot. Bonds2

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 45284124) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID45284124
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)n1
InChIInChI=1S/C15H12N4O2S/c1-19-7-6-10(18-19)14(20)17-15-16-13-9-4-2-3-5-11(9)21-8-12(13)22-15/h2-7H,8H2,1H3,(H,16,17,20)
InChIKeyHBJOUBOYWUEPNR-UHFFFAOYSA-N
XLogP2.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4557200
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide
CID 4583151
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
CID 4115235
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
CID 4533660
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4050137
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4844976
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 3479272
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 16822805
1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16861664
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2727919
[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid
CID 87833982
N-(4-fluoro-1,3-benzothiazol-2-yl)-4H-chromeno[4,3-d][1,3]thiazol-2-amine
CID 43968431

Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 45284124) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)n1.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is HBJOUBOYWUEPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c1-19-7-6-10(18-19)14(20)17-15-16-13-9-4-2-3-5-11(9)21-8-12(13)22-15/h2-7H,8H2,1H3,(H,16,17,20).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 45284124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).