N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine

C15H27N3O2S — CID 62768940

IUPACN-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N(CCOC)C2CC2)sc1CNCCOC
InChIInChI=1S/C15H27N3O2S/c1-4-13-14(11-16-7-9-19-2)21-15(17-13)18(8-10-20-3)12-5-6-12/h12,16H,4-11H2,1-3H3
InChIKeyZOMCHPHDURQDAU-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.06
Rot. Bonds11

About N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine

N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62768940) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62768940
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
SMILESCCc1nc(N(CCOC)C2CC2)sc1CNCCOC
InChIInChI=1S/C15H27N3O2S/c1-4-13-14(11-16-7-9-19-2)21-15(17-13)18(8-10-20-3)12-5-6-12/h12,16H,4-11H2,1-3H3
InChIKeyZOMCHPHDURQDAU-UHFFFAOYSA-N
XLogP2.06
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-cyclopropyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
CID 62768237
4-ethyl-5-[(2-methoxyethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765858
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 55117456
N-butyl-N-cyclopropyl-4-(methoxymethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510022
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767763
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 55117506
N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 78917407
N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
CID 64519919
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 107509708
5-[(2-methoxyethylamino)methyl]-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766747
5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62768827
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63938166

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine (CID 62768940) is N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is CCc1nc(N(CCOC)C2CC2)sc1CNCCOC.
What is the InChIKey of N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZOMCHPHDURQDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-13-14(11-16-7-9-19-2)21-15(17-13)18(8-10-20-3)12-5-6-12/h12,16H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine?
N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 313.47 g/mol, XLogP of 2.06, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62768940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).