(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

C14H12Cl2N2O2S — CID 903662

IUPAC(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@@H]1CCCO1
InChIInChI=1S/C14H12Cl2N2O2S/c15-8-3-4-9(10(16)6-8)11-7-21-14(17-11)18-13(19)12-2-1-5-20-12/h3-4,6-7,12H,1-2,5H2,(H,17,18,19)/t12-/m0/s1
InChIKeyLYLIYECAEZMBJK-LBPRGKRZSA-N
MW343.24 g/mol
LogP4.23
Rot. Bonds3

About (2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide

(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 903662) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is (2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID903662
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC Name(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@@H]1CCCO1
InChIInChI=1S/C14H12Cl2N2O2S/c15-8-3-4-9(10(16)6-8)11-7-21-14(17-11)18-13(19)12-2-1-5-20-12/h3-4,6-7,12H,1-2,5H2,(H,17,18,19)/t12-/m0/s1
InChIKeyLYLIYECAEZMBJK-LBPRGKRZSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,3S,4S)-3-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 26779366
N-[4-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 112790449
4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 112763465
2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,6-dimethylcyclohexane-1-carboxylic acid
CID 123524297
(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 868890
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
(2R)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2576249
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 41364782
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 903662) is (2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is LYLIYECAEZMBJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c15-8-3-4-9(10(16)6-8)11-7-21-14(17-11)18-13(19)12-2-1-5-20-12/h3-4,6-7,12H,1-2,5H2,(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide?
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 343.24 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 903662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).