4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole

C10H13F2NOS — CID 103151261

IUPAC4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
SMILESFC(F)COCCc1nc(C2CC2)cs1
InChIInChI=1S/C10H13F2NOS/c11-9(12)5-14-4-3-10-13-8(6-15-10)7-1-2-7/h6-7,9H,1-5H2
InChIKeyMMXGNWKDHDKDAM-UHFFFAOYSA-N
MW233.28 g/mol
LogP2.84
Rot. Bonds6

About 4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole

4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole (PubChem CID 103151261) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
PubChem CID103151261
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC Name4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
SMILESFC(F)COCCc1nc(C2CC2)cs1
InChIInChI=1S/C10H13F2NOS/c11-9(12)5-14-4-3-10-13-8(6-15-10)7-1-2-7/h6-7,9H,1-5H2
InChIKeyMMXGNWKDHDKDAM-UHFFFAOYSA-N
XLogP2.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetate
CID 63906718
(4-Cyclopropyl-1,3-thiazol-2-yl)methanol
CID 63907038
2-(Cyclopropylmethyl)-4-(oxan-4-yl)-1,3-thiazole
CID 132284276
4-(3-Methylbutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 58125070
4-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 58125148
4-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 70961513
4-Cyclopropyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-thiazole
CID 86218953
4-(1-Fluorocyclopropyl)-2-propan-2-yl-1,3-thiazole
CID 156046816
2-Ethyl-4-(1-fluorocyclopropyl)-1,3-thiazole
CID 172370077
4-(2,2-Difluorocyclopropyl)-2-ethyl-1,3-thiazole;ethane
CID 172370536
4-(3-Chloropropyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole
CID 103146517
4-(3-Chloropropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
CID 103146518

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole (CID 103151261) is 4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole is FC(F)COCCc1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
The InChIKey is MMXGNWKDHDKDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c11-9(12)5-14-4-3-10-13-8(6-15-10)7-1-2-7/h6-7,9H,1-5H2.
What are the key properties of 4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole?
4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole has a molecular weight of 233.28 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 103151261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).