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

C13H25N3OS — CID 55117313

IUPACN-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCC(C)N(C)c1nc(C)c(CNCCOC)s1
InChIInChI=1S/C13H25N3OS/c1-6-10(2)16(4)13-15-11(3)12(18-13)9-14-7-8-17-5/h10,14H,6-9H2,1-5H3
InChIKeyMSYQTFASHYUGNE-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.42
Rot. Bonds8

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

N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 55117313) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID55117313
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCC(C)N(C)c1nc(C)c(CNCCOC)s1
InChIInChI=1S/C13H25N3OS/c1-6-10(2)16(4)13-15-11(3)12(18-13)9-14-7-8-17-5/h10,14H,6-9H2,1-5H3
InChIKeyMSYQTFASHYUGNE-UHFFFAOYSA-N
XLogP2.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.42
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-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 55117313) is N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is CCC(C)N(C)c1nc(C)c(CNCCOC)s1.
What is the InChIKey of N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is MSYQTFASHYUGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-6-10(2)16(4)13-15-11(3)12(18-13)9-14-7-8-17-5/h10,14H,6-9H2,1-5H3.
What are the key properties of N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 271.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55117313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).