(6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C18H20N6O3S2 — CID 134182887

IUPAC(6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CCCS3(=O)=O)c2CN1C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C18H20N6O3S2/c1-12-9-23-16(15(8-20-23)24-5-2-6-29(24,26)27)10-22(12)18(25)21-13-3-4-14-17(7-13)28-11-19-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyJTTAOKOFLZLQQV-LBPRGKRZSA-N
MW432.53 g/mol
LogP2.47
Rot. Bonds2

About (6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 134182887) has the molecular formula C18H20N6O3S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is (6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID134182887
Molecular FormulaC18H20N6O3S2
Molecular Weight432.53 g/mol
Exact Mass432.10
IUPAC Name(6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESC[C@H]1Cn2ncc(N3CCCS3(=O)=O)c2CN1C(=O)Nc1ccc2ncsc2c1
InChIInChI=1S/C18H20N6O3S2/c1-12-9-23-16(15(8-20-23)24-5-2-6-29(24,26)27)10-22(12)18(25)21-13-3-4-14-17(7-13)28-11-19-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,21,25)/t12-/m0/s1
InChIKeyJTTAOKOFLZLQQV-LBPRGKRZSA-N
XLogP2.47
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US9156811, Ddd73477
CID 117905428
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N-[3-(3-Benzothiazol-6-yl-2-oxo-imidazolidin-1-yl)-pyridin-4-yl]-acetamide
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CID 52417392
1-(1,3-Benzothiazol-6-yl)-3-[[2-(dipropylamino)-5-(trifluoromethyl)pyrazol-3-yl]methyl]urea
CID 66644223
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CID 50839674
benzo[d]thiazol-2-yl(4-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl)methanone
CID 52992891
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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of (6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 134182887) is (6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for (6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for (6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CCCS3(=O)=O)c2CN1C(=O)Nc1ccc2ncsc2c1.
What is the InChIKey of (6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is JTTAOKOFLZLQQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N6O3S2/c1-12-9-23-16(15(8-20-23)24-5-2-6-29(24,26)27)10-22(12)18(25)21-13-3-4-14-17(7-13)28-11-19-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,21,25)/t12-/m0/s1.
What are the key properties of (6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
(6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(1,3-benzothiazol-6-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 134182887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).