2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

C21H16N4O2S2 — CID 16947134

IUPAC2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2C(=O)Nc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C21H16N4O2S2/c26-18(12-6-2-1-3-7-12)24-21-23-17-13(10-11-16(17)29-21)19(27)25-20-22-14-8-4-5-9-15(14)28-20/h1-9,13H,10-11H2,(H,22,25,27)(H,23,24,26)
InChIKeySWDBPAJWCCHPDM-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.67
Rot. Bonds4

About 2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide

2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (PubChem CID 16947134) has the molecular formula C21H16N4O2S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
PubChem CID16947134
Molecular FormulaC21H16N4O2S2
Molecular Weight420.52 g/mol
Exact Mass420.07
IUPAC Name2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2C(=O)Nc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C21H16N4O2S2/c26-18(12-6-2-1-3-7-12)24-21-23-17-13(10-11-16(17)29-21)19(27)25-20-22-14-8-4-5-9-15(14)28-20/h1-9,13H,10-11H2,(H,22,25,27)(H,23,24,26)
InChIKeySWDBPAJWCCHPDM-UHFFFAOYSA-N
XLogP4.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide (CID 16947134) is 2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is O=C(Nc1nc2c(s1)CCC2C(=O)Nc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
The InChIKey is SWDBPAJWCCHPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S2/c26-18(12-6-2-1-3-7-12)24-21-23-17-13(10-11-16(17)29-21)19(27)25-20-22-14-8-4-5-9-15(14)28-20/h1-9,13H,10-11H2,(H,22,25,27)(H,23,24,26).
What are the key properties of 2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide?
2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide is sourced from PubChem (CID 16947134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).