3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine

C13H24N2S — CID 115592544

IUPAC3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1csc(C(C)C)n1
InChIInChI=1S/C13H24N2S/c1-6-10(4)11(5)14-7-12-8-16-13(15-12)9(2)3/h8-11,14H,6-7H2,1-5H3
InChIKeySENAEWUKNFATHG-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.79
Rot. Bonds6

About 3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine

3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine (PubChem CID 115592544) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine
PubChem CID115592544
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1csc(C(C)C)n1
InChIInChI=1S/C13H24N2S/c1-6-10(4)11(5)14-7-12-8-16-13(15-12)9(2)3/h8-11,14H,6-7H2,1-5H3
InChIKeySENAEWUKNFATHG-UHFFFAOYSA-N
XLogP3.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
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4-(Piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole
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2-Isopropyl-4-((N-Methylamino)Methyl)Thiazole Hydrochloride
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4-Methyl-2-(pyrrolidin-3-yl)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine (CID 115592544) is 3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine is CCC(C)C(C)NCc1csc(C(C)C)n1.
What is the InChIKey of 3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
The InChIKey is SENAEWUKNFATHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-6-10(4)11(5)14-7-12-8-16-13(15-12)9(2)3/h8-11,14H,6-7H2,1-5H3.
What are the key properties of 3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine?
3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine is sourced from PubChem (CID 115592544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).