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

C17H17N3O4S — CID 42944410

IUPACN-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)n1
InChIInChI=1S/C17H17N3O4S/c1-10(21)13-9-25-17(19-13)20-15(22)11-4-2-5-12(8-11)18-16(23)14-6-3-7-24-14/h2,4-5,8-9,14H,3,6-7H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyOTQHAVWPEVQICT-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.72
Rot. Bonds5

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

N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 42944410) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID42944410
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)n1
InChIInChI=1S/C17H17N3O4S/c1-10(21)13-9-25-17(19-13)20-15(22)11-4-2-5-12(8-11)18-16(23)14-6-3-7-24-14/h2,4-5,8-9,14H,3,6-7H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyOTQHAVWPEVQICT-UHFFFAOYSA-N
XLogP2.72
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43049640
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7268826
N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 43050113
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
(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
(2S)-N-[3-[(2-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 31700256
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42884379

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 42944410) is N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide is CC(=O)c1csc(NC(=O)c2cccc(NC(=O)C3CCCO3)c2)n1.
What is the InChIKey of N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is OTQHAVWPEVQICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-10(21)13-9-25-17(19-13)20-15(22)11-4-2-5-12(8-11)18-16(23)14-6-3-7-24-14/h2,4-5,8-9,14H,3,6-7H2,1H3,(H,18,23)(H,19,20,22).
What are the key properties of N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-acetyl-1,3-thiazol-2-yl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 42944410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).