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

C11H14N4O2S — CID 43430707

IUPAC7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1cn[nH]c1)CS2
InChIInChI=1S/C11H14N4O2S/c1-11-3-2-9(16)15(11)8(6-18-11)10(17)14-7-4-12-13-5-7/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,14,17)
InChIKeySQCUVCGCYHKTBJ-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.80
Rot. Bonds2

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

7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 43430707) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID43430707
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1cn[nH]c1)CS2
InChIInChI=1S/C11H14N4O2S/c1-11-3-2-9(16)15(11)8(6-18-11)10(17)14-7-4-12-13-5-7/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,14,17)
InChIKeySQCUVCGCYHKTBJ-UHFFFAOYSA-N
XLogP0.80
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 43430707) is 7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)Nc1cn[nH]c1)CS2.
What is the InChIKey of 7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is SQCUVCGCYHKTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-11-3-2-9(16)15(11)8(6-18-11)10(17)14-7-4-12-13-5-7/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,14,17).
What are the key properties of 7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5-oxo-N-(1H-pyrazol-4-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 43430707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).