N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

C19H16N4O2S2 — CID 655046

IUPACN-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCc2ccco2)n1
InChIInChI=1S/C19H16N4O2S2/c1-12-16(15-11-26-18(22-15)20-10-14-8-5-9-25-14)27-19(21-12)23-17(24)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyHZVCDZNQSUZCHE-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.03
Rot. Bonds6

About N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 655046) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID655046
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCc2ccco2)n1
InChIInChI=1S/C19H16N4O2S2/c1-12-16(15-11-26-18(22-15)20-10-14-8-5-9-25-14)27-19(21-12)23-17(24)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23,24)
InChIKeyHZVCDZNQSUZCHE-UHFFFAOYSA-N
XLogP5.03
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (CID 655046) is N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCc2ccco2)n1.
What is the InChIKey of N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is HZVCDZNQSUZCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-12-16(15-11-26-18(22-15)20-10-14-8-5-9-25-14)27-19(21-12)23-17(24)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 396.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 655046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).