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

C16H21N3OS — CID 82194090

IUPACN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CNC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21N3OS/c20-14(19-15-18-12-7-17-8-13(12)21-15)16-4-9-1-10(5-16)3-11(2-9)6-16/h9-11,17H,1-8H2,(H,18,19,20)
InChIKeyUZNVTKYDSLXKMZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.90
Rot. Bonds2

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

N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 82194090) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
PubChem CID82194090
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CNC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21N3OS/c20-14(19-15-18-12-7-17-8-13(12)21-15)16-4-9-1-10(5-16)3-11(2-9)6-16/h9-11,17H,1-8H2,(H,18,19,20)
InChIKeyUZNVTKYDSLXKMZ-UHFFFAOYSA-N
XLogP2.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide (CID 82194090) is N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide is O=C(Nc1nc2c(s1)CNC2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is UZNVTKYDSLXKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c20-14(19-15-18-12-7-17-8-13(12)21-15)16-4-9-1-10(5-16)3-11(2-9)6-16/h9-11,17H,1-8H2,(H,18,19,20).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide?
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 2.90, 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)adamantane-1-carboxamide is sourced from PubChem (CID 82194090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).