(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide

C15H14Cl2N2O2S — CID 1143583

IUPAC(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1CCCO1
InChIInChI=1S/C15H14Cl2N2O2S/c16-11-4-1-3-9(13(11)17)7-10-8-18-15(22-10)19-14(20)12-5-2-6-21-12/h1,3-4,8,12H,2,5-7H2,(H,18,19,20)/t12-/m0/s1
InChIKeyUOPWDURTXUFKDD-LBPRGKRZSA-N
MW357.26 g/mol
LogP4.16
Rot. Bonds4

About (2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide

(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 1143583) has the molecular formula C15H14Cl2N2O2S and a molecular weight of 357.26 g/mol. Its IUPAC name is (2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID1143583
Molecular FormulaC15H14Cl2N2O2S
Molecular Weight357.26 g/mol
Exact Mass356.02
IUPAC Name(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1CCCO1
InChIInChI=1S/C15H14Cl2N2O2S/c16-11-4-1-3-9(13(11)17)7-10-8-18-15(22-10)19-14(20)12-5-2-6-21-12/h1,3-4,8,12H,2,5-7H2,(H,18,19,20)/t12-/m0/s1
InChIKeyUOPWDURTXUFKDD-LBPRGKRZSA-N
XLogP4.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120785464
methyl 3-[[2-[[(2R)-oxolane-2-carbonyl]amino]-1,3-thiazol-5-yl]methyl]benzoate
CID 95279728
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 71894360
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1,4-dithiane-2-carboxamide
CID 112810438
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 55811278
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55608214
1-(6-chloropyridazin-3-yl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46588106
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-(5-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2971267
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 1143583) is (2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is UOPWDURTXUFKDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2S/c16-11-4-1-3-9(13(11)17)7-10-8-18-15(22-10)19-14(20)12-5-2-6-21-12/h1,3-4,8,12H,2,5-7H2,(H,18,19,20)/t12-/m0/s1.
What are the key properties of (2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 357.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 1143583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).