3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide

C22H19N3O2S2 — CID 86945459

IUPAC3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)sc1C(=O)NC(C)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C22H19N3O2S2/c1-14(22-25-17(13-28-22)15-8-10-23-11-9-15)24-21(26)20-18(27-2)12-19(29-20)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,24,26)
InChIKeyMVWHWZZCMTTXCA-UHFFFAOYSA-N
MW421.55 g/mol
LogP5.43
Rot. Bonds6

About 3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide

3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 86945459) has the molecular formula C22H19N3O2S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID86945459
Molecular FormulaC22H19N3O2S2
Molecular Weight421.55 g/mol
Exact Mass421.09
IUPAC Name3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)sc1C(=O)NC(C)c1nc(-c2ccncc2)cs1
InChIInChI=1S/C22H19N3O2S2/c1-14(22-25-17(13-28-22)15-8-10-23-11-9-15)24-21(26)20-18(27-2)12-19(29-20)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,24,26)
InChIKeyMVWHWZZCMTTXCA-UHFFFAOYSA-N
XLogP5.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.55
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
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1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
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2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide (CID 86945459) is 3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide is COc1cc(-c2ccccc2)sc1C(=O)NC(C)c1nc(-c2ccncc2)cs1.
What is the InChIKey of 3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is MVWHWZZCMTTXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S2/c1-14(22-25-17(13-28-22)15-8-10-23-11-9-15)24-21(26)20-18(27-2)12-19(29-20)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,24,26).
What are the key properties of 3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide?
3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 86945459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).