N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide

C9H13N3OS — CID 82194095

IUPACN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2c(s1)CNC2
InChIInChI=1S/C9H13N3OS/c1-2-3-8(13)12-9-11-6-4-10-5-7(6)14-9/h10H,2-5H2,1H3,(H,11,12,13)
InChIKeyZRQCSKVRKZDKQL-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.48
Rot. Bonds3

About N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide

N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide (PubChem CID 82194095) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide
PubChem CID82194095
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nc2c(s1)CNC2
InChIInChI=1S/C9H13N3OS/c1-2-3-8(13)12-9-11-6-4-10-5-7(6)14-9/h10H,2-5H2,1H3,(H,11,12,13)
InChIKeyZRQCSKVRKZDKQL-UHFFFAOYSA-N
XLogP1.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide
CID 82194064
3-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 62590605
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 82194128
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide
CID 82194091
4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pentanamide
CID 113382192
N-[(6S)-6-[methyl(propyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide
CID 160641227
1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea
CID 82194100
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)pyridine-2-carboxamide
CID 82194079
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide
CID 82194073
N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)butanamide
CID 130841255
1-propan-2-yl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 43593383

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide (CID 82194095) is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide is CCCC(=O)Nc1nc2c(s1)CNC2.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide?
The InChIKey is ZRQCSKVRKZDKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-3-8(13)12-9-11-6-4-10-5-7(6)14-9/h10H,2-5H2,1H3,(H,11,12,13).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide?
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide has a molecular weight of 211.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide is sourced from PubChem (CID 82194095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).