N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide

C16H14N2O2S3 — CID 4877560

IUPACN-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1CCCO1
InChIInChI=1S/C16H14N2O2S3/c19-15(10-4-1-7-20-10)18-16-17-13(11-5-2-8-21-11)14(23-16)12-6-3-9-22-12/h2-3,5-6,8-10H,1,4,7H2,(H,17,18,19)
InChIKeyGJADXNJXJXPQAP-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.72
Rot. Bonds4

About N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide

N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide (PubChem CID 4877560) has the molecular formula C16H14N2O2S3 and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide
PubChem CID4877560
Molecular FormulaC16H14N2O2S3
Molecular Weight362.50 g/mol
Exact Mass362.02
IUPAC NameN-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1CCCO1
InChIInChI=1S/C16H14N2O2S3/c19-15(10-4-1-7-20-10)18-16-17-13(11-5-2-8-21-11)14(23-16)12-6-3-9-22-12/h2-3,5-6,8-10H,1,4,7H2,(H,17,18,19)
InChIKeyGJADXNJXJXPQAP-UHFFFAOYSA-N
XLogP4.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1225676
cis-(1S,2R)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 2536061
(2R)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27234089
(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
CID 100745825
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 7918509
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 2970872
(2S)-N-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 27233014
(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 40620885
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 23144496
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
4-cyclopropyl-2-(oxolane-2-carbonylamino)-1,3-thiazole-5-carboxylic acid
CID 82226488
(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
CID 41427173

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide (CID 4877560) is N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide is O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1CCCO1.
What is the InChIKey of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is GJADXNJXJXPQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S3/c19-15(10-4-1-7-20-10)18-16-17-13(11-5-2-8-21-11)14(23-16)12-6-3-9-22-12/h2-3,5-6,8-10H,1,4,7H2,(H,17,18,19).
What are the key properties of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide?
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 4877560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).