5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

C16H31N3S — CID 79774640

IUPAC5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(CC(C)C)C(CC)CC)s1
InChIInChI=1S/C16H31N3S/c1-6-9-17-16-18-10-15(20-16)12-19(11-13(4)5)14(7-2)8-3/h10,13-14H,6-9,11-12H2,1-5H3,(H,17,18)
InChIKeyACSCMRHVOXFTCM-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.61
Rot. Bonds10

About 5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774640) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is 5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79774640
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC Name5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(CC(C)C)C(CC)CC)s1
InChIInChI=1S/C16H31N3S/c1-6-9-17-16-18-10-15(20-16)12-19(11-13(4)5)14(7-2)8-3/h10,13-14H,6-9,11-12H2,1-5H3,(H,17,18)
InChIKeyACSCMRHVOXFTCM-UHFFFAOYSA-N
XLogP4.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (CID 79774640) is 5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN(CC(C)C)C(CC)CC)s1.
What is the InChIKey of 5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is ACSCMRHVOXFTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-6-9-17-16-18-10-15(20-16)12-19(11-13(4)5)14(7-2)8-3/h10,13-14H,6-9,11-12H2,1-5H3,(H,17,18).
What are the key properties of 5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).