N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide

C21H20FN5O3S — CID 55461133

IUPACN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)Nc3ccccc3)n2)c(F)c1
InChIInChI=1S/C21H20FN5O3S/c1-13(28)24-15-7-8-16(17(22)11-15)18-12-31-21(26-18)27-19(29)9-10-23-20(30)25-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,24,28)(H2,23,25,30)(H,26,27,29)
InChIKeyOIJLVHYDWJTIKF-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.06
Rot. Bonds7

About N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide (PubChem CID 55461133) has the molecular formula C21H20FN5O3S and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
PubChem CID55461133
Molecular FormulaC21H20FN5O3S
Molecular Weight441.49 g/mol
Exact Mass441.13
IUPAC NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)Nc3ccccc3)n2)c(F)c1
InChIInChI=1S/C21H20FN5O3S/c1-13(28)24-15-7-8-16(17(22)11-15)18-12-31-21(26-18)27-19(29)9-10-23-20(30)25-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,24,28)(H2,23,25,30)(H,26,27,29)
InChIKeyOIJLVHYDWJTIKF-UHFFFAOYSA-N
XLogP4.06
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-nitroanilino)propanamide
CID 16962407
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
CID 55396589
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521368
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
CID 56549898
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
N-[2-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649957
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 39991303
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55460998
3-[(4-bromophenyl)carbamoylamino]-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55773674

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide (CID 55461133) is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)Nc3ccccc3)n2)c(F)c1.
What is the InChIKey of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide?
The InChIKey is OIJLVHYDWJTIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3S/c1-13(28)24-15-7-8-16(17(22)11-15)18-12-31-21(26-18)27-19(29)9-10-23-20(30)25-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,24,28)(H2,23,25,30)(H,26,27,29).
What are the key properties of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide?
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide has a molecular weight of 441.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 55461133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).