4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine

C13H25N3S — CID 65485437

IUPAC4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCC(C)CN(CCc1csc(N)n1)CC(C)C
InChIInChI=1S/C13H25N3S/c1-10(2)7-16(8-11(3)4)6-5-12-9-17-13(14)15-12/h9-11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyAXHILNPZOIONPN-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.88
Rot. Bonds7

About 4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine

4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65485437) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID65485437
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCC(C)CN(CCc1csc(N)n1)CC(C)C
InChIInChI=1S/C13H25N3S/c1-10(2)7-16(8-11(3)4)6-5-12-9-17-13(14)15-12/h9-11H,5-8H2,1-4H3,(H2,14,15)
InChIKeyAXHILNPZOIONPN-UHFFFAOYSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
CID 114011149
N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65485637
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189538
4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
CID 114396487
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484860
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65482906
4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483489
4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484257
4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485252
4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 21090604

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine (CID 65485437) is 4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine is CC(C)CN(CCc1csc(N)n1)CC(C)C.
What is the InChIKey of 4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is AXHILNPZOIONPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-10(2)7-16(8-11(3)4)6-5-12-9-17-13(14)15-12/h9-11H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine?
4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65485437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).