(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide

C15H15N3O3S — CID 7268826

IUPAC(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1nccs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C15H15N3O3S/c19-13(18-15-16-6-8-22-15)10-3-1-4-11(9-10)17-14(20)12-5-2-7-21-12/h1,3-4,6,8-9,12H,2,5,7H2,(H,17,20)(H,16,18,19)/t12-/m0/s1
InChIKeyDZHRDBNQEYOOEJ-LBPRGKRZSA-N
MW317.37 g/mol
LogP2.51
Rot. Bonds4

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

(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 7268826) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID7268826
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1nccs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1
InChIInChI=1S/C15H15N3O3S/c19-13(18-15-16-6-8-22-15)10-3-1-4-11(9-10)17-14(20)12-5-2-7-21-12/h1,3-4,6,8-9,12H,2,5,7H2,(H,17,20)(H,16,18,19)/t12-/m0/s1
InChIKeyDZHRDBNQEYOOEJ-LBPRGKRZSA-N
XLogP2.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1314180
trans-(1S,2S)-2-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1314181
N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42944410
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049640
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
(1R,6R)-6-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1312895
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 7268826) is (2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide is O=C(Nc1nccs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1.
What is the InChIKey of (2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is DZHRDBNQEYOOEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-13(18-15-16-6-8-22-15)10-3-1-4-11(9-10)17-14(20)12-5-2-7-21-12/h1,3-4,6,8-9,12H,2,5,7H2,(H,17,20)(H,16,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide?
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 7268826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).