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

C16H18N2O2S — CID 124758437

IUPAC(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)[C@H]1CCOC1
InChIInChI=1S/C16H18N2O2S/c19-16(13-7-9-20-10-13)17-8-6-15-18-14(11-21-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,17,19)/t13-/m0/s1
InChIKeyYPMRIWAVJIAYLB-ZDUSSCGKSA-N
MW302.40 g/mol
LogP2.51
Rot. Bonds5

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

(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 124758437) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID124758437
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)[C@H]1CCOC1
InChIInChI=1S/C16H18N2O2S/c19-16(13-7-9-20-10-13)17-8-6-15-18-14(11-21-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,17,19)/t13-/m0/s1
InChIKeyYPMRIWAVJIAYLB-ZDUSSCGKSA-N
XLogP2.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
CID 124527551
(5S)-3-benzyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 26343681
(9S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125176271
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
CID 51207996
2-[(2S)-morpholin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 125175454
4-N,4-N-dicyclohexyl-1-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzene-1,4-dicarboxamide
CID 4531775
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 166222792
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 52985500

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (CID 124758437) is (3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is O=C(NCCc1nc(-c2ccccc2)cs1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is YPMRIWAVJIAYLB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(13-7-9-20-10-13)17-8-6-15-18-14(11-21-15)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,17,19)/t13-/m0/s1.
What are the key properties of (3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 124758437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).