1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine

C7H14N2S — CID 67152941

IUPAC1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine
SMILESCNCC1=CSC(C)(C)N1
InChIInChI=1S/C7H14N2S/c1-7(2)9-6(4-8-3)5-10-7/h5,8-9H,4H2,1-3H3
InChIKeyQJTZILSMSICOER-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.12
Rot. Bonds2

About 1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine

1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine (PubChem CID 67152941) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine
PubChem CID67152941
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine
SMILESCNCC1=CSC(C)(C)N1
InChIInChI=1S/C7H14N2S/c1-7(2)9-6(4-8-3)5-10-7/h5,8-9H,4H2,1-3H3
InChIKeyQJTZILSMSICOER-UHFFFAOYSA-N
XLogP1.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine (CID 67152941) is 1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine is CNCC1=CSC(C)(C)N1.
What is the InChIKey of 1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine?
The InChIKey is QJTZILSMSICOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-7(2)9-6(4-8-3)5-10-7/h5,8-9H,4H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine?
1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine has a molecular weight of 158.27 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1,3-thiazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 67152941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).