5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

C16H21N3OS — CID 62942007

IUPAC5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCOCCNc1nc2c(s1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H21N3OS/c1-20-10-8-17-16-18-14-7-9-19(12-15(14)21-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,18)
InChIKeyDJZGSWVTVQEOEJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.76
Rot. Bonds6

About 5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine

5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 62942007) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID62942007
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCOCCNc1nc2c(s1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H21N3OS/c1-20-10-8-17-16-18-14-7-9-19(12-15(14)21-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,18)
InChIKeyDJZGSWVTVQEOEJ-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-N-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 62942181
N-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine
CID 62542862
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methylpropanamide
CID 2388197
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dimethylbenzamide
CID 42153991
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
CID 2382313
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methylpyrazine-2-carboxamide
CID 18074462
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
CID 17455381
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxy-4-prop-2-enoxybenzamide
CID 24599368
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide
CID 35799271
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2641092

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 62942007) is 5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is COCCNc1nc2c(s1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is DJZGSWVTVQEOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-20-10-8-17-16-18-14-7-9-19(12-15(14)21-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,18).
What are the key properties of 5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine?
5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 303.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 62942007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).