N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

C15H27N3OS — CID 63655525

IUPACN-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC2CCCC2)nc1C
InChIInChI=1S/C15H27N3OS/c1-12-14(10-16-8-9-19-3)20-15(17-12)18(2)11-13-6-4-5-7-13/h13,16H,4-11H2,1-3H3
InChIKeyLLSNGTYCNMWXBV-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.81
Rot. Bonds8

About N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine

N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 63655525) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID63655525
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)CC2CCCC2)nc1C
InChIInChI=1S/C15H27N3OS/c1-12-14(10-16-8-9-19-3)20-15(17-12)18(2)11-13-6-4-5-7-13/h13,16H,4-11H2,1-3H3
InChIKeyLLSNGTYCNMWXBV-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.81
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 63655525) is N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is COCCNCc1sc(N(C)CC2CCCC2)nc1C.
What is the InChIKey of N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is LLSNGTYCNMWXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-12-14(10-16-8-9-19-3)20-15(17-12)18(2)11-13-6-4-5-7-13/h13,16H,4-11H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 297.47 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63655525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).