4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine

C14H27N3S — CID 114011149

IUPAC4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)CCN(CCC(C)C)Cc1csc(N)n1
InChIInChI=1S/C14H27N3S/c1-11(2)5-7-17(8-6-12(3)4)9-13-10-18-14(15)16-13/h10-12H,5-9H2,1-4H3,(H2,15,16)
InChIKeyYRBSLORTFSVQOK-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.62
Rot. Bonds8

About 4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine

4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 114011149) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID114011149
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)CCN(CCC(C)C)Cc1csc(N)n1
InChIInChI=1S/C14H27N3S/c1-11(2)5-7-17(8-6-12(3)4)9-13-10-18-14(15)16-13/h10-12H,5-9H2,1-4H3,(H2,15,16)
InChIKeyYRBSLORTFSVQOK-UHFFFAOYSA-N
XLogP3.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine (CID 114011149) is 4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine is CC(C)CCN(CCC(C)C)Cc1csc(N)n1.
What is the InChIKey of 4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is YRBSLORTFSVQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-11(2)5-7-17(8-6-12(3)4)9-13-10-18-14(15)16-13/h10-12H,5-9H2,1-4H3,(H2,15,16).
What are the key properties of 4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine?
4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 114011149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).