4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine

C12H22N2S — CID 62069755

IUPAC4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine
SMILESCc1ncsc1CCNC(C)CC(C)C
InChIInChI=1S/C12H22N2S/c1-9(2)7-10(3)13-6-5-12-11(4)14-8-15-12/h8-10,13H,5-7H2,1-4H3
InChIKeyGZVZMFWZRXHEKS-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.02
Rot. Bonds6

About 4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine

4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine (PubChem CID 62069755) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine
PubChem CID62069755
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine
SMILESCc1ncsc1CCNC(C)CC(C)C
InChIInChI=1S/C12H22N2S/c1-9(2)7-10(3)13-6-5-12-11(4)14-8-15-12/h8-10,13H,5-7H2,1-4H3
InChIKeyGZVZMFWZRXHEKS-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406260
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81407952
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpentan-2-amine
CID 115718378
(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81400379
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
(1S)-1-(3-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81372103
(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81381393
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 62071360
N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 64687165
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine (CID 62069755) is 4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine is Cc1ncsc1CCNC(C)CC(C)C.
What is the InChIKey of 4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine?
The InChIKey is GZVZMFWZRXHEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9(2)7-10(3)13-6-5-12-11(4)14-8-15-12/h8-10,13H,5-7H2,1-4H3.
What are the key properties of 4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine?
4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 62069755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).