5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C17H24N4O2S — CID 120901310

IUPAC5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOc1cc(NC2CCCN(Cc3cnc(N)s3)C2)cc(OC)c1
InChIInChI=1S/C17H24N4O2S/c1-22-14-6-13(7-15(8-14)23-2)20-12-4-3-5-21(10-12)11-16-9-19-17(18)24-16/h6-9,12,20H,3-5,10-11H2,1-2H3,(H2,18,19)
InChIKeyOOULZOVHIGAKNE-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.82
Rot. Bonds6

About 5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120901310) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120901310
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCOc1cc(NC2CCCN(Cc3cnc(N)s3)C2)cc(OC)c1
InChIInChI=1S/C17H24N4O2S/c1-22-14-6-13(7-15(8-14)23-2)20-12-4-3-5-21(10-12)11-16-9-19-17(18)24-16/h6-9,12,20H,3-5,10-11H2,1-2H3,(H2,18,19)
InChIKeyOOULZOVHIGAKNE-UHFFFAOYSA-N
XLogP2.82
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
CID 120899494
5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120905660
5-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902600
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131944851
5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine
CID 120902755
5-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897748
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120901310) is 5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is COc1cc(NC2CCCN(Cc3cnc(N)s3)C2)cc(OC)c1.
What is the InChIKey of 5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is OOULZOVHIGAKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-22-14-6-13(7-15(8-14)23-2)20-12-4-3-5-21(10-12)11-16-9-19-17(18)24-16/h6-9,12,20H,3-5,10-11H2,1-2H3,(H2,18,19).
What are the key properties of 5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 348.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120901310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).