N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C17H15F2N3O2S2 — CID 24686506

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1nc(-c3ccc(F)c(F)c3)cs1)CS2
InChIInChI=1S/C17H15F2N3O2S2/c1-17-5-4-14(23)22(17)13(8-26-17)15(24)21-16-20-12(7-25-16)9-2-3-10(18)11(19)6-9/h2-3,6-7,13H,4-5,8H2,1H3,(H,20,21,24)
InChIKeyLLSDNLGLVOBMIP-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.48
Rot. Bonds3

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 24686506) has the molecular formula C17H15F2N3O2S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID24686506
Molecular FormulaC17H15F2N3O2S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1nc(-c3ccc(F)c(F)c3)cs1)CS2
InChIInChI=1S/C17H15F2N3O2S2/c1-17-5-4-14(23)22(17)13(8-26-17)15(24)21-16-20-12(7-25-16)9-2-3-10(18)11(19)6-9/h2-3,6-7,13H,4-5,8H2,1H3,(H,20,21,24)
InChIKeyLLSDNLGLVOBMIP-UHFFFAOYSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide with MolForge

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Related Compounds

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2-(2,4-diketo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)thiazol-2-yl]acetamide
CID 2095288
7a-methyl-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 4826410
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
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7a-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24982614
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CID 25161892

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 24686506) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)Nc1nc(-c3ccc(F)c(F)c3)cs1)CS2.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is LLSDNLGLVOBMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S2/c1-17-5-4-14(23)22(17)13(8-26-17)15(24)21-16-20-12(7-25-16)9-2-3-10(18)11(19)6-9/h2-3,6-7,13H,4-5,8H2,1H3,(H,20,21,24).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 24686506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).