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

C16H18N2O2S — CID 2888347

IUPACN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3CCCO3)s2)cc1
InChIInChI=1S/C16H18N2O2S/c1-11-4-6-12(7-5-11)9-13-10-17-16(21-13)18-15(19)14-3-2-8-20-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,17,18,19)
InChIKeyJDUKUMMTDHDZTH-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.16
Rot. Bonds4

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

N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (PubChem CID 2888347) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
PubChem CID2888347
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3CCCO3)s2)cc1
InChIInChI=1S/C16H18N2O2S/c1-11-4-6-12(7-5-11)9-13-10-17-16(21-13)18-15(19)14-3-2-8-20-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,17,18,19)
InChIKeyJDUKUMMTDHDZTH-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide (CID 2888347) is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is Cc1ccc(Cc2cnc(NC(=O)C3CCCO3)s2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
The InChIKey is JDUKUMMTDHDZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-4-6-12(7-5-11)9-13-10-17-16(21-13)18-15(19)14-3-2-8-20-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide?
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 2888347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).