5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

C13H25N3OS — CID 81074664

IUPAC5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)CCOC(C)C)s1
InChIInChI=1S/C13H25N3OS/c1-5-6-14-13-15-9-12(18-13)10-16(4)7-8-17-11(2)3/h9,11H,5-8,10H2,1-4H3,(H,14,15)
InChIKeyMWNCJPFEIHNUFL-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.82
Rot. Bonds9

About 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 81074664) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID81074664
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)CCOC(C)C)s1
InChIInChI=1S/C13H25N3OS/c1-5-6-14-13-15-9-12(18-13)10-16(4)7-8-17-11(2)3/h9,11H,5-8,10H2,1-4H3,(H,14,15)
InChIKeyMWNCJPFEIHNUFL-UHFFFAOYSA-N
XLogP2.82
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (CID 81074664) is 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN(C)CCOC(C)C)s1.
What is the InChIKey of 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is MWNCJPFEIHNUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-6-14-13-15-9-12(18-13)10-16(4)7-8-17-11(2)3/h9,11H,5-8,10H2,1-4H3,(H,14,15).
What are the key properties of 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 271.43 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 81074664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).