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

C9H11N3OS — CID 82194091

IUPACN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(s1)CNC2)C1CC1
InChIInChI=1S/C9H11N3OS/c13-8(5-1-2-5)12-9-11-6-3-10-4-7(6)14-9/h5,10H,1-4H2,(H,11,12,13)
InChIKeyAKVVHHVYBGIYHN-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.09
Rot. Bonds2

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

N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide (PubChem CID 82194091) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide
PubChem CID82194091
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(s1)CNC2)C1CC1
InChIInChI=1S/C9H11N3OS/c13-8(5-1-2-5)12-9-11-6-3-10-4-7(6)14-9/h5,10H,1-4H2,(H,11,12,13)
InChIKeyAKVVHHVYBGIYHN-UHFFFAOYSA-N
XLogP1.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.09
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)butanamide
CID 82194095
1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea
CID 82194100
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119277026
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
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
1-cyclopropyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 62700616
N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119311177
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 82194128
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 51083284
1-(cyclopropanecarbonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 26067271
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 119300571

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide (CID 82194091) is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide is O=C(Nc1nc2c(s1)CNC2)C1CC1.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is AKVVHHVYBGIYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c13-8(5-1-2-5)12-9-11-6-3-10-4-7(6)14-9/h5,10H,1-4H2,(H,11,12,13).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide?
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 209.27 g/mol, XLogP of 1.09, 2 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)cyclopropanecarboxamide is sourced from PubChem (CID 82194091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).