N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide

C15H17FN4O2S — CID 49255186

IUPACN-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide
SMILESCc1nc(CCNC(=O)NCC(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FN4O2S/c1-10-19-13(9-23-10)6-7-17-15(22)18-8-14(21)20-12-4-2-11(16)3-5-12/h2-5,9H,6-8H2,1H3,(H,20,21)(H2,17,18,22)
InChIKeyWNGVPWOTSXDGDU-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.07
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide

N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide (PubChem CID 49255186) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide
PubChem CID49255186
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide
SMILESCc1nc(CCNC(=O)NCC(=O)Nc2ccc(F)cc2)cs1
InChIInChI=1S/C15H17FN4O2S/c1-10-19-13(9-23-10)6-7-17-15(22)18-8-14(21)20-12-4-2-11(16)3-5-12/h2-5,9H,6-8H2,1H3,(H,20,21)(H2,17,18,22)
InChIKeyWNGVPWOTSXDGDU-UHFFFAOYSA-N
XLogP2.07
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283431
1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94181927
N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000912
N-(4-bromophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]acetamide
CID 106045402
1-[4-(1-aminoethyl)phenyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 106049607
2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110353144
4-fluoro-N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-4-oxobutyl]benzamide
CID 47070792
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]acetamide
CID 106041035
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 111450510
2-[(5-fluoro-2-methylphenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277168
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide (CID 49255186) is N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide is Cc1nc(CCNC(=O)NCC(=O)Nc2ccc(F)cc2)cs1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide?
The InChIKey is WNGVPWOTSXDGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-10-19-13(9-23-10)6-7-17-15(22)18-8-14(21)20-12-4-2-11(16)3-5-12/h2-5,9H,6-8H2,1H3,(H,20,21)(H2,17,18,22).
What are the key properties of N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide?
N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]acetamide is sourced from PubChem (CID 49255186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).