4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine

C10H18N2S — CID 21355455

IUPAC4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
SMILESCC(C)CC(C)NCc1nccs1
InChIInChI=1S/C10H18N2S/c1-8(2)6-9(3)12-7-10-11-4-5-13-10/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyIBDAAYNZROTOAM-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.67
Rot. Bonds5

About 4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine

4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine (PubChem CID 21355455) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
PubChem CID21355455
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
SMILESCC(C)CC(C)NCc1nccs1
InChIInChI=1S/C10H18N2S/c1-8(2)6-9(3)12-7-10-11-4-5-13-10/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyIBDAAYNZROTOAM-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine (CID 21355455) is 4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine is CC(C)CC(C)NCc1nccs1.
What is the InChIKey of 4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine?
The InChIKey is IBDAAYNZROTOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8(2)6-9(3)12-7-10-11-4-5-13-10/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of 4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine?
4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine is sourced from PubChem (CID 21355455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).