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

C12H17N3S2 — CID 114362311

IUPAC1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cncs2)nc1C(C)(C)C
InChIInChI=1S/C12H17N3S2/c1-12(2,3)10-8(5-13-4)17-11(15-10)9-6-14-7-16-9/h6-7,13H,5H2,1-4H3
InChIKeyIYTTXWAHWSAQMF-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.28
Rot. Bonds3

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

1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114362311) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114362311
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2cncs2)nc1C(C)(C)C
InChIInChI=1S/C12H17N3S2/c1-12(2,3)10-8(5-13-4)17-11(15-10)9-6-14-7-16-9/h6-7,13H,5H2,1-4H3
InChIKeyIYTTXWAHWSAQMF-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82438547
1-[4-tert-butyl-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362417
1-[2-(4-bromo-3,5-dimethylphenyl)-4-tert-butyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362506
1-[4-tert-butyl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362421
1-[4-tert-butyl-2-(5-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362493
1-[4-tert-butyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362377
N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841402
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-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362415
N-[[2-(5-bromothiophen-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362567

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114362311) is 1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2cncs2)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is IYTTXWAHWSAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-12(2,3)10-8(5-13-4)17-11(15-10)9-6-14-7-16-9/h6-7,13H,5H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 267.42 g/mol, XLogP of 3.28, 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-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114362311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).