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

C12H12N4OS — CID 82194100

IUPAC1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc2c(s1)CNC2
InChIInChI=1S/C12H12N4OS/c17-11(14-8-4-2-1-3-5-8)16-12-15-9-6-13-7-10(9)18-12/h1-5,13H,6-7H2,(H2,14,15,16,17)
InChIKeyIJBBGTZWQKCHDY-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.39
Rot. Bonds2

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

1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea (PubChem CID 82194100) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea
PubChem CID82194100
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1nc2c(s1)CNC2
InChIInChI=1S/C12H12N4OS/c17-11(14-8-4-2-1-3-5-8)16-12-15-9-6-13-7-10(9)18-12/h1-5,13H,6-7H2,(H2,14,15,16,17)
InChIKeyIJBBGTZWQKCHDY-UHFFFAOYSA-N
XLogP2.39
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-4-phenoxybutanamide
CID 82194064
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)cyclopropanecarboxamide
CID 82194091
1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 107653982
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)butanamide
CID 82194095
N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 15017642
(E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 82194063
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 82194128
1-(4-methylphenyl)-3-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 4572571
1-propan-2-yl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 43593383
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride
CID 71778985

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea?
The IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea (CID 82194100) is 1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea?
The canonical SMILES for 1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1nc2c(s1)CNC2.
What is the InChIKey of 1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea?
The InChIKey is IJBBGTZWQKCHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c17-11(14-8-4-2-1-3-5-8)16-12-15-9-6-13-7-10(9)18-12/h1-5,13H,6-7H2,(H2,14,15,16,17).
What are the key properties of 1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea?
1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea has a molecular weight of 260.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea is sourced from PubChem (CID 82194100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).