2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

C25H21N3O5S — CID 2954498

IUPAC2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(OCC(N)=O)cc1)N(c1nc(C)c(C)s1)C3=O
InChIInChI=1S/C25H21N3O5S/c1-12-4-9-18-17(10-12)22(30)20-21(15-5-7-16(8-6-15)32-11-19(26)29)28(24(31)23(20)33-18)25-27-13(2)14(3)34-25/h4-10,21H,11H2,1-3H3,(H2,26,29)
InChIKeyHYWZIYHINCZHCP-UHFFFAOYSA-N
MW475.53 g/mol
LogP3.79
Rot. Bonds5

About 2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (PubChem CID 2954498) has the molecular formula C25H21N3O5S and a molecular weight of 475.53 g/mol. Its IUPAC name is 2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
PubChem CID2954498
Molecular FormulaC25H21N3O5S
Molecular Weight475.53 g/mol
Exact Mass475.12
IUPAC Name2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(OCC(N)=O)cc1)N(c1nc(C)c(C)s1)C3=O
InChIInChI=1S/C25H21N3O5S/c1-12-4-9-18-17(10-12)22(30)20-21(15-5-7-16(8-6-15)32-11-19(26)29)28(24(31)23(20)33-18)25-27-13(2)14(3)34-25/h4-10,21H,11H2,1-3H3,(H2,26,29)
InChIKeyHYWZIYHINCZHCP-UHFFFAOYSA-N
XLogP3.79
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 4707178
2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
CID 3283735
(1R)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2036737
methyl 2-[1-[4-(2-amino-2-oxoethoxy)phenyl]-7-bromo-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4707867
1-(4-tert-butylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3333231
7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5112330
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-butoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707450
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707946
7-chloro-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3709492
2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23473134
2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4242620
1-(4-butoxy-3-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707470

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (CID 2954498) is 2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(OCC(N)=O)cc1)N(c1nc(C)c(C)s1)C3=O.
What is the InChIKey of 2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The InChIKey is HYWZIYHINCZHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5S/c1-12-4-9-18-17(10-12)22(30)20-21(15-5-7-16(8-6-15)32-11-19(26)29)28(24(31)23(20)33-18)25-27-13(2)14(3)34-25/h4-10,21H,11H2,1-3H3,(H2,26,29).
What are the key properties of 2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide has a molecular weight of 475.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 2954498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).