3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C14H11N3O2S2 — CID 110446009

IUPAC3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H11N3O2S2/c1-19-11-4-6-20-12(11)13(18)17-14-16-10(8-21-14)9-3-2-5-15-7-9/h2-8H,1H3,(H,16,17,18)
InChIKeyKXYMXKWIWCLFNP-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.53
Rot. Bonds4

About 3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 110446009) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID110446009
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC Name3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C14H11N3O2S2/c1-19-11-4-6-20-12(11)13(18)17-14-16-10(8-21-14)9-3-2-5-15-7-9/h2-8H,1H3,(H,16,17,18)
InChIKeyKXYMXKWIWCLFNP-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
CID 71858357
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
4-(diethylamino)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4142843
2,3-dimethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581346
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
2-hydroxy-3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 78895805
3,5-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8892667
4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 43070031
1,1-bis(2-methylpropyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 87009120
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 110446009) is 3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide is COc1ccsc1C(=O)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is KXYMXKWIWCLFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-19-11-4-6-20-12(11)13(18)17-14-16-10(8-21-14)9-3-2-5-15-7-9/h2-8H,1H3,(H,16,17,18).
What are the key properties of 3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 110446009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).