N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C20H17N5O3S2 — CID 71788277

IUPACN-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1
InChIInChI=1S/C20H17N5O3S2/c1-12-16(30-20(21-12)24-6-2-3-7-24)18(27)25-8-4-14-15(10-25)29-19(22-14)23-17(26)13-5-9-28-11-13/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,22,23,26)
InChIKeyXIXKTJDZVZEPRR-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.74
Rot. Bonds4

About N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 71788277) has the molecular formula C20H17N5O3S2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
PubChem CID71788277
Molecular FormulaC20H17N5O3S2
Molecular Weight439.52 g/mol
Exact Mass439.08
IUPAC NameN-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1
InChIInChI=1S/C20H17N5O3S2/c1-12-16(30-20(21-12)24-6-2-3-7-24)18(27)25-8-4-14-15(10-25)29-19(22-14)23-17(26)13-5-9-28-11-13/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,22,23,26)
InChIKeyXIXKTJDZVZEPRR-UHFFFAOYSA-N
XLogP3.74
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The IUPAC name of N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 71788277) is N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)N1CCc2nc(NC(=O)c3ccoc3)sc2C1.
What is the InChIKey of N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
The InChIKey is XIXKTJDZVZEPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S2/c1-12-16(30-20(21-12)24-6-2-3-7-24)18(27)25-8-4-14-15(10-25)29-19(22-14)23-17(26)13-5-9-28-11-13/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,22,23,26).
What are the key properties of N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?
N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 71788277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).