2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

C19H16N4O3S — CID 42111322

IUPAC2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C19H16N4O3S/c1-3-23-15(8-11(2)22-23)17(24)21-19-20-14(10-27-19)13-9-12-6-4-5-7-16(12)26-18(13)25/h4-10H,3H2,1-2H3,(H,20,21,24)
InChIKeyIWVQOSRTDMGQPV-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.69
Rot. Bonds4

About 2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 42111322) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID42111322
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1
InChIInChI=1S/C19H16N4O3S/c1-3-23-15(8-11(2)22-23)17(24)21-19-20-14(10-27-19)13-9-12-6-4-5-7-16(12)26-18(13)25/h4-10H,3H2,1-2H3,(H,20,21,24)
InChIKeyIWVQOSRTDMGQPV-UHFFFAOYSA-N
XLogP3.69
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 42111322) is 2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1.
What is the InChIKey of 2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is IWVQOSRTDMGQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-3-23-15(8-11(2)22-23)17(24)21-19-20-14(10-27-19)13-9-12-6-4-5-7-16(12)26-18(13)25/h4-10H,3H2,1-2H3,(H,20,21,24).
What are the key properties of 2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 42111322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).