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

C11H20N2S — CID 115717784

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
SMILESCCC(C)NC(CC)c1nc(C)cs1
InChIInChI=1S/C11H20N2S/c1-5-8(3)12-10(6-2)11-13-9(4)7-14-11/h7-8,10,12H,5-6H2,1-4H3
InChIKeyINKZSBXVNFTKOC-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.29
Rot. Bonds5

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

N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine (PubChem CID 115717784) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
PubChem CID115717784
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
SMILESCCC(C)NC(CC)c1nc(C)cs1
InChIInChI=1S/C11H20N2S/c1-5-8(3)12-10(6-2)11-13-9(4)7-14-11/h7-8,10,12H,5-6H2,1-4H3
InChIKeyINKZSBXVNFTKOC-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine
CID 115887446
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
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 115618906
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
4-methylsulfanyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 103089596

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine (CID 115717784) is N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine is CCC(C)NC(CC)c1nc(C)cs1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
The InChIKey is INKZSBXVNFTKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-5-8(3)12-10(6-2)11-13-9(4)7-14-11/h7-8,10,12H,5-6H2,1-4H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine?
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine is sourced from PubChem (CID 115717784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).