2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide

C13H12ClFN4O2S — CID 87553230

IUPAC2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1Cl
InChIInChI=1S/C13H12ClFN4O2S/c14-11-9(5-10(16)20)18-13(22-11)19-12(21)17-6-7-2-1-3-8(15)4-7/h1-4H,5-6H2,(H2,16,20)(H2,17,18,19,21)
InChIKeyAGQNAMVYHJBDOU-UHFFFAOYSA-N
MW342.78 g/mol
LogP2.29
Rot. Bonds5

About 2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide

2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 87553230) has the molecular formula C13H12ClFN4O2S and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID87553230
Molecular FormulaC13H12ClFN4O2S
Molecular Weight342.78 g/mol
Exact Mass342.04
IUPAC Name2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1Cl
InChIInChI=1S/C13H12ClFN4O2S/c14-11-9(5-10(16)20)18-13(22-11)19-12(21)17-6-7-2-1-3-8(15)4-7/h1-4H,5-6H2,(H2,16,20)(H2,17,18,19,21)
InChIKeyAGQNAMVYHJBDOU-UHFFFAOYSA-N
XLogP2.29
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminoethyl)-5-fluoro-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 91213016
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501
1-[(3-fluorophenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 126601240
3,6-dichloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide
CID 87095254
2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
CID 108898547
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcyclopentanecarboxamide
CID 87095190
6-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-methylpyridazine-4-carboxamide
CID 86661325
1-[4-[(2,2-difluoroethylamino)methyl]-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 86661301
(2R)-4-amino-2-[(3-fluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107826029
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
3-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-6-methoxy-N-methylpyridazine-4-carboxamide
CID 86661317

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 87553230) is 2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide is NC(=O)Cc1nc(NC(=O)NCc2cccc(F)c2)sc1Cl.
What is the InChIKey of 2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is AGQNAMVYHJBDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O2S/c14-11-9(5-10(16)20)18-13(22-11)19-12(21)17-6-7-2-1-3-8(15)4-7/h1-4H,5-6H2,(H2,16,20)(H2,17,18,19,21).
What are the key properties of 2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide?
2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 342.78 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 87553230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).