N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide

C18H22N2O2S — CID 3601096

IUPACN-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCC(C)Cc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1
InChIInChI=1S/C18H22N2O2S/c1-12(2)10-13-5-7-14(8-6-13)15-11-23-18(19-15)20-17(21)16-4-3-9-22-16/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyMVZCTJPTNLVOJC-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.13
Rot. Bonds5

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

N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 3601096) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID3601096
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCC(C)Cc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1
InChIInChI=1S/C18H22N2O2S/c1-12(2)10-13-5-7-14(8-6-13)15-11-23-18(19-15)20-17(21)16-4-3-9-22-16/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,19,20,21)
InChIKeyMVZCTJPTNLVOJC-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2576249
(2R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 868890
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 41364782
4-methyl-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 5019698
1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8833632
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049640
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]nonanamide
CID 5184266
(2S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 7318372

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 3601096) is N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is CC(C)Cc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1.
What is the InChIKey of N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is MVZCTJPTNLVOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12(2)10-13-5-7-14(8-6-13)15-11-23-18(19-15)20-17(21)16-4-3-9-22-16/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 3601096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).