4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine

C13H18N4S — CID 46943192

IUPAC4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCC(C)CC(N)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C13H18N4S/c1-9(2)7-10(14)11-8-18-13(16-11)17-12-5-3-4-6-15-12/h3-6,8-10H,7,14H2,1-2H3,(H,15,16,17)
InChIKeyNEPFPCDPTKZKNQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.33
Rot. Bonds5

About 4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine

4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 46943192) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID46943192
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCC(C)CC(N)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C13H18N4S/c1-9(2)7-10(14)11-8-18-13(16-11)17-12-5-3-4-6-15-12/h3-6,8-10H,7,14H2,1-2H3,(H,15,16,17)
InChIKeyNEPFPCDPTKZKNQ-UHFFFAOYSA-N
XLogP3.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 46943192) is 4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is CC(C)CC(N)c1csc(Nc2ccccn2)n1.
What is the InChIKey of 4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is NEPFPCDPTKZKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)7-10(14)11-8-18-13(16-11)17-12-5-3-4-6-15-12/h3-6,8-10H,7,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-methylbutyl)-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46943192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).