N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine

C11H20N2S — CID 59481359

IUPACN-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)CN(C)c1ncc(C(C)C)s1
InChIInChI=1S/C11H20N2S/c1-8(2)7-13(5)11-12-6-10(14-11)9(3)4/h6,8-9H,7H2,1-5H3
InChIKeyXYUFEUAUDPSZOG-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.36
Rot. Bonds4

About N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine

N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 59481359) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID59481359
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)CN(C)c1ncc(C(C)C)s1
InChIInChI=1S/C11H20N2S/c1-8(2)7-13(5)11-12-6-10(14-11)9(3)4/h6,8-9H,7H2,1-5H3
InChIKeyXYUFEUAUDPSZOG-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine (CID 59481359) is N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine is CC(C)CN(C)c1ncc(C(C)C)s1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is XYUFEUAUDPSZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(2)7-13(5)11-12-6-10(14-11)9(3)4/h6,8-9H,7H2,1-5H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine?
N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 59481359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).