4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one

C9H8ClF2N3O2S — CID 123626297

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(N(Cc2cnc(Cl)s2)CC(F)F)co1
InChIInChI=1S/C9H8ClF2N3O2S/c10-8-13-1-5(18-8)2-15(3-6(11)12)7-4-17-9(16)14-7/h1,4,6H,2-3H2,(H,14,16)
InChIKeyQEYFHFKMPWRUIP-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.35
Rot. Bonds5

About 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one

4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one (PubChem CID 123626297) has the molecular formula C9H8ClF2N3O2S and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one
PubChem CID123626297
Molecular FormulaC9H8ClF2N3O2S
Molecular Weight295.70 g/mol
Exact Mass295.00
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(N(Cc2cnc(Cl)s2)CC(F)F)co1
InChIInChI=1S/C9H8ClF2N3O2S/c10-8-13-1-5(18-8)2-15(3-6(11)12)7-4-17-9(16)14-7/h1,4,6H,2-3H2,(H,14,16)
InChIKeyQEYFHFKMPWRUIP-UHFFFAOYSA-N
XLogP2.35
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one with MolForge

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 115681800
4-[(6-chloro-3-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]-3H-1,3-oxazol-2-one
CID 123867893
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethylpropan-2-amine
CID 79765211
3-[(2-chloro-1,3-thiazol-5-yl)methyl-ethylamino]phenol
CID 86807167
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 79765216
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79764469
2-chloro-5-(isocyanatomethyl)-1,3-thiazole
CID 119083048
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79764595
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-methylpropane-1,3-diamine
CID 81493193
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 66568672
4-[cyclopropyl-[(6-fluoro-3-pyridinyl)methyl]amino]-3H-1,3-oxazol-2-one
CID 91358125
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
CID 79765082

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one (CID 123626297) is 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one is O=c1[nH]c(N(Cc2cnc(Cl)s2)CC(F)F)co1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one?
The InChIKey is QEYFHFKMPWRUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N3O2S/c10-8-13-1-5(18-8)2-15(3-6(11)12)7-4-17-9(16)14-7/h1,4,6H,2-3H2,(H,14,16).
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one?
4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one has a molecular weight of 295.70 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methyl-(2,2-difluoroethyl)amino]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 123626297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).