N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

C21H22N4O5S — CID 18567667

IUPACN-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)c(OC)c1
InChIInChI=1S/C21H22N4O5S/c1-28-14-8-9-16(18(11-14)30-3)23-19(26)10-13-12-31-21(22-13)25-20(27)24-15-6-4-5-7-17(15)29-2/h4-9,11-12H,10H2,1-3H3,(H,23,26)(H2,22,24,25,27)
InChIKeyKVPPHMQGCXDSQJ-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.99
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18567667) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID18567667
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)c(OC)c1
InChIInChI=1S/C21H22N4O5S/c1-28-14-8-9-16(18(11-14)30-3)23-19(26)10-13-12-31-21(22-13)25-20(27)24-15-6-4-5-7-17(15)29-2/h4-9,11-12H,10H2,1-3H3,(H,23,26)(H2,22,24,25,27)
InChIKeyKVPPHMQGCXDSQJ-UHFFFAOYSA-N
XLogP3.99
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 18567667) is N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is COc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is KVPPHMQGCXDSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-28-14-8-9-16(18(11-14)30-3)23-19(26)10-13-12-31-21(22-13)25-20(27)24-15-6-4-5-7-17(15)29-2/h4-9,11-12H,10H2,1-3H3,(H,23,26)(H2,22,24,25,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 442.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18567667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).