4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole

C9H13N3S — CID 90255703

IUPAC4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole
SMILESCn1cnc(C2=NC(C)(C)CS2)c1
InChIInChI=1S/C9H13N3S/c1-9(2)5-13-8(11-9)7-4-12(3)6-10-7/h4,6H,5H2,1-3H3
InChIKeyPBZIOBIQKHPNOS-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.69
Rot. Bonds1

About 4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole

4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole (PubChem CID 90255703) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole
PubChem CID90255703
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole
SMILESCn1cnc(C2=NC(C)(C)CS2)c1
InChIInChI=1S/C9H13N3S/c1-9(2)5-13-8(11-9)7-4-12(3)6-10-7/h4,6H,5H2,1-3H3
InChIKeyPBZIOBIQKHPNOS-UHFFFAOYSA-N
XLogP1.69
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylimidazol-4-yl)-1,3-thiazol-4-yl]methanamine
CID 126985086
[(1S,3S)-2,2-dimethyl-3-(1-methylimidazol-4-yl)cyclopropyl]methanamine
CID 178195147
[4-(1-methylimidazol-4-yl)phenyl]methanol
CID 142503697
4-methyl-2-(1-methylimidazol-4-yl)-1,3-thiazole
CID 173053610
1-methyl-2-(1-methylimidazol-4-yl)imidazole
CID 15897140
4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 23128582
4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine
CID 107976184
4-bromo-2-(1-methylimidazol-4-yl)aniline
CID 163393520
4-methyl-3-(1-methylimidazol-4-yl)thiolan-3-ol
CID 130520175
3-(1-methylimidazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 125448983
4-(1-methylimidazol-4-yl)pyridin-2-amine
CID 130509091
4-(3-bromophenyl)-1-methylimidazole
CID 54081748

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole?
The IUPAC name of 4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole (CID 90255703) is 4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole.
What is the SMILES notation for 4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole?
The canonical SMILES for 4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole is Cn1cnc(C2=NC(C)(C)CS2)c1.
What is the InChIKey of 4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole?
The InChIKey is PBZIOBIQKHPNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-9(2)5-13-8(11-9)7-4-12(3)6-10-7/h4,6H,5H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole?
4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole has a molecular weight of 195.29 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1-methylimidazol-4-yl)-5H-1,3-thiazole is sourced from PubChem (CID 90255703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).