4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole

C8H10FNS — CID 155207140

IUPAC4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C2(CF)CC2)cs1
InChIInChI=1S/C8H10FNS/c1-6-10-7(4-11-6)8(5-9)2-3-8/h4H,2-3,5H2,1H3
InChIKeyVROLKVXVLMQAPQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.45
Rot. Bonds2

About 4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole

4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole (PubChem CID 155207140) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole
PubChem CID155207140
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C2(CF)CC2)cs1
InChIInChI=1S/C8H10FNS/c1-6-10-7(4-11-6)8(5-9)2-3-8/h4H,2-3,5H2,1H3
InChIKeyVROLKVXVLMQAPQ-UHFFFAOYSA-N
XLogP2.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole (CID 155207140) is 4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole is Cc1nc(C2(CF)CC2)cs1.
What is the InChIKey of 4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole?
The InChIKey is VROLKVXVLMQAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-6-10-7(4-11-6)8(5-9)2-3-8/h4H,2-3,5H2,1H3.
What are the key properties of 4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole?
4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole has a molecular weight of 171.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 155207140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).