4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole

C8H10FNS — CID 146290452

IUPAC4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(C2(F)CC2)c(C)s1
InChIInChI=1S/C8H10FNS/c1-5-7(8(9)3-4-8)10-6(2)11-5/h3-4H2,1-2H3
InChIKeyCTCSTQCOQRVBLE-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.72
Rot. Bonds1

About 4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole

4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole (PubChem CID 146290452) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole
PubChem CID146290452
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole
SMILESCc1nc(C2(F)CC2)c(C)s1
InChIInChI=1S/C8H10FNS/c1-5-7(8(9)3-4-8)10-6(2)11-5/h3-4H2,1-2H3
InChIKeyCTCSTQCOQRVBLE-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole?
The IUPAC name of 4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole (CID 146290452) is 4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole is Cc1nc(C2(F)CC2)c(C)s1.
What is the InChIKey of 4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole?
The InChIKey is CTCSTQCOQRVBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-5-7(8(9)3-4-8)10-6(2)11-5/h3-4H2,1-2H3.
What are the key properties of 4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole?
4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole has a molecular weight of 171.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorocyclopropyl)-2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 146290452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).