2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide

C13H20N4OS — CID 82194267

IUPAC2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide
SMILESNc1nc2c(s1)CN(CC(=O)NC1CCCCC1)C2
InChIInChI=1S/C13H20N4OS/c14-13-16-10-6-17(7-11(10)19-13)8-12(18)15-9-4-2-1-3-5-9/h9H,1-8H2,(H2,14,16)(H,15,18)
InChIKeyPMEATDOVZOAUTC-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.49
Rot. Bonds3

About 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide

2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide (PubChem CID 82194267) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide
PubChem CID82194267
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide
SMILESNc1nc2c(s1)CN(CC(=O)NC1CCCCC1)C2
InChIInChI=1S/C13H20N4OS/c14-13-16-10-6-17(7-11(10)19-13)8-12(18)15-9-4-2-1-3-5-9/h9H,1-8H2,(H2,14,16)(H,15,18)
InChIKeyPMEATDOVZOAUTC-UHFFFAOYSA-N
XLogP1.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-methylacetamide
CID 28505495
2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 82194265
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
N-[5-[2-(cyclopropylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531346
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclooctylacetamide
CID 54901941
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398
5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
CID 82194364
N-cyclopentyl-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63090926
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 120752820
N-tert-butyl-2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90529559

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide (CID 82194267) is 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide is Nc1nc2c(s1)CN(CC(=O)NC1CCCCC1)C2.
What is the InChIKey of 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide?
The InChIKey is PMEATDOVZOAUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c14-13-16-10-6-17(7-11(10)19-13)8-12(18)15-9-4-2-1-3-5-9/h9H,1-8H2,(H2,14,16)(H,15,18).
What are the key properties of 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide?
2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide has a molecular weight of 280.40 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-cyclohexylacetamide is sourced from PubChem (CID 82194267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).