2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide

C22H24N4O2S — CID 86900818

IUPAC2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide
SMILESCc1nc(C)c(CCNC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C22H24N4O2S/c1-15-19(29-16(2)24-15)13-14-23-22(28)26-20(17-9-5-3-6-10-17)21(27)25-18-11-7-4-8-12-18/h3-12,20H,13-14H2,1-2H3,(H,25,27)(H2,23,26,28)
InChIKeyBTDHLVULKKUCTP-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.98
Rot. Bonds7

About 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide

2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide (PubChem CID 86900818) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide
PubChem CID86900818
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide
SMILESCc1nc(C)c(CCNC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C22H24N4O2S/c1-15-19(29-16(2)24-15)13-14-23-22(28)26-20(17-9-5-3-6-10-17)21(27)25-18-11-7-4-8-12-18/h3-12,20H,13-14H2,1-2H3,(H,25,27)(H2,23,26,28)
InChIKeyBTDHLVULKKUCTP-UHFFFAOYSA-N
XLogP3.98
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide
CID 51957933
2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]-N,2-diphenylacetamide
CID 55729692
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119622
6-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184650
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
2-amino-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119947163
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 120613102
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
CID 110395095
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide
CID 87036337
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
CID 7222725
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
CID 120613101
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide?
The IUPAC name of 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide (CID 86900818) is 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide is Cc1nc(C)c(CCNC(=O)NC(C(=O)Nc2ccccc2)c2ccccc2)s1.
What is the InChIKey of 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide?
The InChIKey is BTDHLVULKKUCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-15-19(29-16(2)24-15)13-14-23-22(28)26-20(17-9-5-3-6-10-17)21(27)25-18-11-7-4-8-12-18/h3-12,20H,13-14H2,1-2H3,(H,25,27)(H2,23,26,28).
What are the key properties of 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide?
2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide has a molecular weight of 408.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 86900818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).