1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

C13H20N4S — CID 114362377

IUPAC1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2nccn2C)nc1C(C)(C)C
InChIInChI=1S/C13H20N4S/c1-13(2,3)10-9(8-14-4)18-12(16-10)11-15-6-7-17(11)5/h6-7,14H,8H2,1-5H3
InChIKeyZMIQSDPZSVKVCY-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.56
Rot. Bonds3

About 1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114362377) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114362377
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2nccn2C)nc1C(C)(C)C
InChIInChI=1S/C13H20N4S/c1-13(2,3)10-9(8-14-4)18-12(16-10)11-15-6-7-17(11)5/h6-7,14H,8H2,1-5H3
InChIKeyZMIQSDPZSVKVCY-UHFFFAOYSA-N
XLogP2.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114362981
1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
1-[2-(4-bromo-3,5-dimethylphenyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362506
1-[4-tert-butyl-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362417
N-[[2-(1-methylimidazol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365417
1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362311
1-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362442
1-[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362305
1-[4-tert-butyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82439166
1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362421
1-[4-tert-butyl-2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362415
1-[4-tert-butyl-2-(5-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362493

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114362377) is 1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2nccn2C)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is ZMIQSDPZSVKVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-13(2,3)10-9(8-14-4)18-12(16-10)11-15-6-7-17(11)5/h6-7,14H,8H2,1-5H3.
What are the key properties of 1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114362377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).