N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide

C18H17N3O4S — CID 167424707

IUPACN-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide
SMILESCC(C)C(NC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1nccs1
InChIInChI=1S/C18H17N3O4S/c1-10(2)14(16(23)21-18-19-7-8-26-18)20-15(22)12-9-11-5-3-4-6-13(11)25-17(12)24/h3-10,14H,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyRDEHXPGHWQYYKF-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.64
Rot. Bonds5

About N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide

N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide (PubChem CID 167424707) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide
PubChem CID167424707
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide
SMILESCC(C)C(NC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1nccs1
InChIInChI=1S/C18H17N3O4S/c1-10(2)14(16(23)21-18-19-7-8-26-18)20-15(22)12-9-11-5-3-4-6-13(11)25-17(12)24/h3-10,14H,1-2H3,(H,20,22)(H,19,21,23)
InChIKeyRDEHXPGHWQYYKF-UHFFFAOYSA-N
XLogP2.64
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 2666515
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
N-(2-methyl-1-thiophen-2-ylpropyl)-2-oxochromene-3-carboxamide
CID 46692009
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]chromene-3-carboxamide
CID 49357043
4-(2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 942201
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744
2-oxo-N-(1-pyridin-3-ylethyl)chromene-3-carboxamide
CID 18163014
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
2-(4-methylsulfanylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367697
2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
CID 30183382

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide (CID 167424707) is N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide is CC(C)C(NC(=O)c1cc2ccccc2oc1=O)C(=O)Nc1nccs1.
What is the InChIKey of N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide?
The InChIKey is RDEHXPGHWQYYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-10(2)14(16(23)21-18-19-7-8-26-18)20-15(22)12-9-11-5-3-4-6-13(11)25-17(12)24/h3-10,14H,1-2H3,(H,20,22)(H,19,21,23).
What are the key properties of N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide?
N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 167424707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).