5-methyl-4-propan-2-yl-1,3-thiazole

C7H11NS — CID 45121704

IUPAC5-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1scnc1C(C)C
InChIInChI=1S/C7H11NS/c1-5(2)7-6(3)9-4-8-7/h4-5H,1-3H3
InChIKeyKSILGMOBWDKRIZ-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.57
Rot. Bonds1

About 5-methyl-4-propan-2-yl-1,3-thiazole

5-methyl-4-propan-2-yl-1,3-thiazole (PubChem CID 45121704) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-1,3-thiazole
PubChem CID45121704
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name5-methyl-4-propan-2-yl-1,3-thiazole
SMILESCc1scnc1C(C)C
InChIInChI=1S/C7H11NS/c1-5(2)7-6(3)9-4-8-7/h4-5H,1-3H3
InChIKeyKSILGMOBWDKRIZ-UHFFFAOYSA-N
XLogP2.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-methyl-4-propan-2-yl-1,3-thiazole (CID 45121704) is 5-methyl-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-4-propan-2-yl-1,3-thiazole is Cc1scnc1C(C)C.
What is the InChIKey of 5-methyl-4-propan-2-yl-1,3-thiazole?
The InChIKey is KSILGMOBWDKRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-5(2)7-6(3)9-4-8-7/h4-5H,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-1,3-thiazole?
5-methyl-4-propan-2-yl-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 45121704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).