N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine

C11H20N2S — CID 75517933

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCc1ncc(CN(C(C)C)C(C)C)s1
InChIInChI=1S/C11H20N2S/c1-8(2)13(9(3)4)7-11-6-12-10(5)14-11/h6,8-9H,7H2,1-5H3
InChIKeyZONUZFYTPWLMEJ-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.07
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine (PubChem CID 75517933) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine
PubChem CID75517933
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine
SMILESCc1ncc(CN(C(C)C)C(C)C)s1
InChIInChI=1S/C11H20N2S/c1-8(2)13(9(3)4)7-11-6-12-10(5)14-11/h6,8-9H,7H2,1-5H3
InChIKeyZONUZFYTPWLMEJ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine (CID 75517933) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine is Cc1ncc(CN(C(C)C)C(C)C)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is ZONUZFYTPWLMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(2)13(9(3)4)7-11-6-12-10(5)14-11/h6,8-9H,7H2,1-5H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 75517933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).