N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine

C12H23N3S — CID 62750586

IUPACN,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)CC(C)C)nc1C
InChIInChI=1S/C12H23N3S/c1-8(2)7-15(6)12-14-10(4)11(16-12)9(3)13-5/h8-9,13H,7H2,1-6H3
InChIKeyWRMRFDDFAANAKV-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.82
Rot. Bonds5

About N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine

N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 62750586) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID62750586
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCNC(C)c1sc(N(C)CC(C)C)nc1C
InChIInChI=1S/C12H23N3S/c1-8(2)7-15(6)12-14-10(4)11(16-12)9(3)13-5/h8-9,13H,7H2,1-6H3
InChIKeyWRMRFDDFAANAKV-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 62750586) is N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine is CNC(C)c1sc(N(C)CC(C)C)nc1C.
What is the InChIKey of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is WRMRFDDFAANAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-8(2)7-15(6)12-14-10(4)11(16-12)9(3)13-5/h8-9,13H,7H2,1-6H3.
What are the key properties of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62750586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).