2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole

C8H11NS — CID 90291718

IUPAC2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole
SMILESCc1nc(C2(C)CC2)cs1
InChIInChI=1S/C8H11NS/c1-6-9-7(5-10-6)8(2)3-4-8/h5H,3-4H2,1-2H3
InChIKeyNTHGTKJHLPPMIG-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.50
Rot. Bonds1

About 2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole

2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole (PubChem CID 90291718) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole
PubChem CID90291718
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole
SMILESCc1nc(C2(C)CC2)cs1
InChIInChI=1S/C8H11NS/c1-6-9-7(5-10-6)8(2)3-4-8/h5H,3-4H2,1-2H3
InChIKeyNTHGTKJHLPPMIG-UHFFFAOYSA-N
XLogP2.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole (CID 90291718) is 2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole is Cc1nc(C2(C)CC2)cs1.
What is the InChIKey of 2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole?
The InChIKey is NTHGTKJHLPPMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-9-7(5-10-6)8(2)3-4-8/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole?
2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole is sourced from PubChem (CID 90291718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).