5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine

C11H20N2S — CID 62759038

IUPAC5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
SMILESCC(C)CCC(C)NCc1cncs1
InChIInChI=1S/C11H20N2S/c1-9(2)4-5-10(3)13-7-11-6-12-8-14-11/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyGGPMCUAADADSPT-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.06
Rot. Bonds6

About 5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine

5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine (PubChem CID 62759038) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
PubChem CID62759038
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
SMILESCC(C)CCC(C)NCc1cncs1
InChIInChI=1S/C11H20N2S/c1-9(2)4-5-10(3)13-7-11-6-12-8-14-11/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyGGPMCUAADADSPT-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 103854616
3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 81421993
(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 94578466
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134
2-methyl-6-(1,3-thiazol-5-ylmethylamino)heptanoic acid
CID 112641429
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215
3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine
CID 63843497
(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol
CID 94578982
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
1-(4-bromopyrazol-1-yl)-N-(1,3-thiazol-5-ylmethyl)propan-2-amine
CID 104585466

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine (CID 62759038) is 5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine is CC(C)CCC(C)NCc1cncs1.
What is the InChIKey of 5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine?
The InChIKey is GGPMCUAADADSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-9(2)4-5-10(3)13-7-11-6-12-8-14-11/h6,8-10,13H,4-5,7H2,1-3H3.
What are the key properties of 5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine?
5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine is sourced from PubChem (CID 62759038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).