N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide

C21H15ClN2O4S — CID 43025340

IUPACN-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CC1SC(c2cc3ccccc3oc2=O)=NC1=O
InChIInChI=1S/C21H15ClN2O4S/c1-11-14(22)6-4-7-15(11)23-18(25)10-17-19(26)24-20(29-17)13-9-12-5-2-3-8-16(12)28-21(13)27/h2-9,17H,10H2,1H3,(H,23,25)
InChIKeyARDVPQZZQZREEZ-UHFFFAOYSA-N
MW426.88 g/mol
LogP4.17
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide (PubChem CID 43025340) has the molecular formula C21H15ClN2O4S and a molecular weight of 426.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
PubChem CID43025340
Molecular FormulaC21H15ClN2O4S
Molecular Weight426.88 g/mol
Exact Mass426.04
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CC1SC(c2cc3ccccc3oc2=O)=NC1=O
InChIInChI=1S/C21H15ClN2O4S/c1-11-14(22)6-4-7-15(11)23-18(25)10-17-19(26)24-20(29-17)13-9-12-5-2-3-8-16(12)28-21(13)27/h2-9,17H,10H2,1H3,(H,23,25)
InChIKeyARDVPQZZQZREEZ-UHFFFAOYSA-N
XLogP4.17
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025347
N-(4-chlorophenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 47007137
N-(4-ethoxyphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide
CID 43025351
2-[(5S)-4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27438446
N-(3-chloro-2-methylphenyl)-2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097416
N-(3-chloro-2-methylphenyl)-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 30097413
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
2-[(5S)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-1-ylacetamide
CID 135725481
N-(2-chlorophenyl)-2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 17420291
2-[(5R)-2-[(2R)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 135673097
N-(3-chloro-2-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46636062
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 135691951

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide (CID 43025340) is N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide is Cc1c(Cl)cccc1NC(=O)CC1SC(c2cc3ccccc3oc2=O)=NC1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is ARDVPQZZQZREEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O4S/c1-11-14(22)6-4-7-15(11)23-18(25)10-17-19(26)24-20(29-17)13-9-12-5-2-3-8-16(12)28-21(13)27/h2-9,17H,10H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 426.88 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-oxo-2-(2-oxochromen-3-yl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 43025340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).