4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine

C13H25N3S — CID 65483489

IUPAC4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCCCCN(CCc1csc(N)n1)C(C)CC
InChIInChI=1S/C13H25N3S/c1-4-6-8-16(11(3)5-2)9-7-12-10-17-13(14)15-12/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyVRRLISPQSYCUOT-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.17
Rot. Bonds8

About 4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine

4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65483489) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID65483489
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCCCCN(CCc1csc(N)n1)C(C)CC
InChIInChI=1S/C13H25N3S/c1-4-6-8-16(11(3)5-2)9-7-12-10-17-13(14)15-12/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyVRRLISPQSYCUOT-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine (CID 65483489) is 4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine is CCCCN(CCc1csc(N)n1)C(C)CC.
What is the InChIKey of 4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is VRRLISPQSYCUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-4-6-8-16(11(3)5-2)9-7-12-10-17-13(14)15-12/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine?
4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65483489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).