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

C12H23N3S — CID 62751974

IUPACN-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(C)c1ncc(C(C)NC)s1
InChIInChI=1S/C12H23N3S/c1-6-10(7-2)15(5)12-14-8-11(16-12)9(3)13-4/h8-10,13H,6-7H2,1-5H3
InChIKeyYOPQQUXYYHRXEP-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.05
Rot. Bonds6

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

N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 62751974) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID62751974
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(C)c1ncc(C(C)NC)s1
InChIInChI=1S/C12H23N3S/c1-6-10(7-2)15(5)12-14-8-11(16-12)9(3)13-4/h8-10,13H,6-7H2,1-5H3
InChIKeyYOPQQUXYYHRXEP-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 55112349
N-butyl-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750234
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750433
N-methyl-5-[1-(methylamino)ethyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81068221
N-methyl-N-(3-methylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750951
N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750040
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751969
N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62755005
N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 55111876
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62752148
N-methyl-5-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234787
N-methyl-5-[1-(methylamino)ethyl]-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82754018

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine (CID 62751974) is N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine is CCC(CC)N(C)c1ncc(C(C)NC)s1.
What is the InChIKey of N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is YOPQQUXYYHRXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-6-10(7-2)15(5)12-14-8-11(16-12)9(3)13-4/h8-10,13H,6-7H2,1-5H3.
What are the key properties of N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62751974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).