2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine

C12H22N2S — CID 115887446

IUPAC2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine
SMILESCCC(C)CNC(CC)c1nc(C)cs1
InChIInChI=1S/C12H22N2S/c1-5-9(3)7-13-11(6-2)12-14-10(4)8-15-12/h8-9,11,13H,5-7H2,1-4H3
InChIKeyZJLXZNQPCZHFPK-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.54
Rot. Bonds6

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

2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine (PubChem CID 115887446) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine
PubChem CID115887446
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine
SMILESCCC(C)CNC(CC)c1nc(C)cs1
InChIInChI=1S/C12H22N2S/c1-5-9(3)7-13-11(6-2)12-14-10(4)8-15-12/h8-9,11,13H,5-7H2,1-4H3
InChIKeyZJLXZNQPCZHFPK-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-1-ol
CID 104769377
N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 115618906
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 61043484
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
(1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 97353367
N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 106676092
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
(1S)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 42078005
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
1-(4-methyl-1,3-thiazol-2-yl)ethanamine;hydrochloride
CID 73012335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine (CID 115887446) is 2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine is CCC(C)CNC(CC)c1nc(C)cs1.
What is the InChIKey of 2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine?
The InChIKey is ZJLXZNQPCZHFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-9(3)7-13-11(6-2)12-14-10(4)8-15-12/h8-9,11,13H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine?
2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine is sourced from PubChem (CID 115887446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).