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

C11H20N2S — CID 115907389

IUPAC2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
SMILESCCCC(C)CNCc1ncc(C)s1
InChIInChI=1S/C11H20N2S/c1-4-5-9(2)6-12-8-11-13-7-10(3)14-11/h7,9,12H,4-6,8H2,1-3H3
InChIKeyHINQWSZDPUJJPR-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.98
Rot. Bonds6

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

2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine (PubChem CID 115907389) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
PubChem CID115907389
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
SMILESCCCC(C)CNCc1ncc(C)s1
InChIInChI=1S/C11H20N2S/c1-4-5-9(2)6-12-8-11-13-7-10(3)14-11/h7,9,12H,4-6,8H2,1-3H3
InChIKeyHINQWSZDPUJJPR-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
(5-Methyl-1,3-thiazol-2-yl)methanamine
CID 24274472
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474
4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
2-Isobutyl-5-methylthiazole
CID 574811
1-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 43558941
2-(5-Methyl-1,3-thiazol-2-yl)butan-2-amine dihydrochloride
CID 154832821
1-cyclopropyl-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 75376608
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 75428426
1-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 97232904

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine (CID 115907389) is 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine is CCCC(C)CNCc1ncc(C)s1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
The InChIKey is HINQWSZDPUJJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-5-9(2)6-12-8-11-13-7-10(3)14-11/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine?
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 115907389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).