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

C12H23N3S — CID 79771643

IUPAC5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)CC(C)C)s1
InChIInChI=1S/C12H23N3S/c1-5-6-13-12-14-7-11(16-12)9-15(4)8-10(2)3/h7,10H,5-6,8-9H2,1-4H3,(H,13,14)
InChIKeyCFHVRKDENILANF-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.05
Rot. Bonds7

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

5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79771643) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79771643
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(C)CC(C)C)s1
InChIInChI=1S/C12H23N3S/c1-5-6-13-12-14-7-11(16-12)9-15(4)8-10(2)3/h7,10H,5-6,8-9H2,1-4H3,(H,13,14)
InChIKeyCFHVRKDENILANF-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-methylpropyl(pentan-3-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774640
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 81074664
5-[[methyl(3-methylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771449
N,N,N'-trimethyl-N'-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]propane-1,3-diamine
CID 79772531
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774342
2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide
CID 79771545
2-methyl-2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]propan-1-ol
CID 113476329
5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 114237921
1-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953196
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
3-[[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]methyl]cyclobutan-1-ol
CID 79773867
5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 112664315

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (CID 79771643) is 5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN(C)CC(C)C)s1.
What is the InChIKey of 5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is CFHVRKDENILANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-6-13-12-14-7-11(16-12)9-15(4)8-10(2)3/h7,10H,5-6,8-9H2,1-4H3,(H,13,14).
What are the key properties of 5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79771643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).