2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C17H13N3O2S2 — CID 17489929

IUPAC2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2sc(Nc3ccccc3)nc2s1
InChIInChI=1S/C17H13N3O2S2/c21-15(18-10-12-7-4-8-22-12)13-9-14-16(23-13)20-17(24-14)19-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H,19,20)
InChIKeyISAMMSLBMQHTIF-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.62
Rot. Bonds5

About 2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 17489929) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID17489929
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC Name2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2sc(Nc3ccccc3)nc2s1
InChIInChI=1S/C17H13N3O2S2/c21-15(18-10-12-7-4-8-22-12)13-9-14-16(23-13)20-17(24-14)19-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H,19,20)
InChIKeyISAMMSLBMQHTIF-UHFFFAOYSA-N
XLogP4.62
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-anilino-1,3-thiazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 27377722
N-(1-aminopropan-2-yl)-2-anilino-N-methylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 119585103
[1-(ethylamino)-1-oxopropan-2-yl] 2-anilinothieno[2,3-d][1,3]thiazole-5-carboxylate
CID 42925867
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
2-anilino-N-(2-methylpiperidin-4-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide;dihydrochloride
CID 120600464
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625309
N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
[2-(aminomethyl)pyrrolidin-1-yl]-(2-anilinothieno[2,3-d][1,3]thiazol-5-yl)methanone;dihydrochloride
CID 119634519
N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555759

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 17489929) is 2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(NCc1ccco1)c1cc2sc(Nc3ccccc3)nc2s1.
What is the InChIKey of 2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is ISAMMSLBMQHTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c21-15(18-10-12-7-4-8-22-12)13-9-14-16(23-13)20-17(24-14)19-11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H,19,20).
What are the key properties of 2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(furan-2-ylmethyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 17489929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).