5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide

C18H23N5O3S2 — CID 21008542

IUPAC5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
SMILESCN1CCc2nc(NC(=O)c3cc(C4CC4)n(C4CCS(=O)(=O)C4)n3)sc2C1
InChIInChI=1S/C18H23N5O3S2/c1-22-6-4-13-16(9-22)27-18(19-13)20-17(24)14-8-15(11-2-3-11)23(21-14)12-5-7-28(25,26)10-12/h8,11-12H,2-7,9-10H2,1H3,(H,19,20,24)
InChIKeyOBEOPUBQWWPFSR-UHFFFAOYSA-N
MW421.55 g/mol
LogP1.82
Rot. Bonds4

About 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide

5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide (PubChem CID 21008542) has the molecular formula C18H23N5O3S2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
PubChem CID21008542
Molecular FormulaC18H23N5O3S2
Molecular Weight421.55 g/mol
Exact Mass421.12
IUPAC Name5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
SMILESCN1CCc2nc(NC(=O)c3cc(C4CC4)n(C4CCS(=O)(=O)C4)n3)sc2C1
InChIInChI=1S/C18H23N5O3S2/c1-22-6-4-13-16(9-22)27-18(19-13)20-17(24)14-8-15(11-2-3-11)23(21-14)12-5-7-28(25,26)10-12/h8,11-12H,2-7,9-10H2,1H3,(H,19,20,24)
InChIKeyOBEOPUBQWWPFSR-UHFFFAOYSA-N
XLogP1.82
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 44065913
5-cyclopropyl-N-(4,5-dimethylthiazol-2-yl)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-3-carboxamide
CID 16849791
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CID 21008557
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(S)-1,1-dioxo-1lambda-tetrahydro-3H-thien-3-yl]-2,3-diazabicyclo[3.3.0]octa-1,4-diene-4-carboxamide
CID 27378319
N-(5-methyl-3-thia-1,5-diaza-4,5,6,7-tetrahydro-2-indenyl)-1-methyl-3-methyl-5-pyrazolecarboxamide
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CID 44116436
N-(5-(cyclopropylsulfonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)-1-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 71788216
N-cyclopropyl-3-(5-{[2-(methylamino)-1,3-thiazol-4-yl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70723173
N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 138030631
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 90530820
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 90532558
3-(4-fluorophenyl)-1-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-5-carboxamide
CID 90532829

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide (CID 21008542) is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide is CN1CCc2nc(NC(=O)c3cc(C4CC4)n(C4CCS(=O)(=O)C4)n3)sc2C1.
What is the InChIKey of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide?
The InChIKey is OBEOPUBQWWPFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S2/c1-22-6-4-13-16(9-22)27-18(19-13)20-17(24)14-8-15(11-2-3-11)23(21-14)12-5-7-28(25,26)10-12/h8,11-12H,2-7,9-10H2,1H3,(H,19,20,24).
What are the key properties of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide?
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 21008542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).