(2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide

C16H17ClN2O2S — CID 97040610

IUPAC(2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@H]1CCCO1
InChIInChI=1S/C16H17ClN2O2S/c1-10-14(9-18-15(20)13-7-4-8-21-13)22-16(19-10)11-5-2-3-6-12(11)17/h2-3,5-6,13H,4,7-9H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyLATCULVBIRITSV-CYBMUJFWSA-N
MW336.84 g/mol
LogP3.57
Rot. Bonds4

About (2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide

(2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide (PubChem CID 97040610) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is (2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
PubChem CID97040610
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name(2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@H]1CCCO1
InChIInChI=1S/C16H17ClN2O2S/c1-10-14(9-18-15(20)13-7-4-8-21-13)22-16(19-10)11-5-2-3-6-12(11)17/h2-3,5-6,13H,4,7-9H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyLATCULVBIRITSV-CYBMUJFWSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
CID 71795593
(2S)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 97040611
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-9H-xanthene-9-carboxamide
CID 121123057
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 110645386
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-iodobenzamide
CID 121123060
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]oxolane-2-carboxamide
CID 91795525
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 71795660
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
2-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]benzamide
CID 71795631
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
CID 136516557

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide (CID 97040610) is (2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide?
The InChIKey is LATCULVBIRITSV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-10-14(9-18-15(20)13-7-4-8-21-13)22-16(19-10)11-5-2-3-6-12(11)17/h2-3,5-6,13H,4,7-9H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide?
(2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide has a molecular weight of 336.84 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 97040610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).