4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole

C18H29F2NOS — CID 155347260

IUPAC4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole
SMILESCCCc1sc(OCC(C)(F)F)nc1CCCC1CCCCC1
InChIInChI=1S/C18H29F2NOS/c1-3-8-16-15(12-7-11-14-9-5-4-6-10-14)21-17(23-16)22-13-18(2,19)20/h14H,3-13H2,1-2H3
InChIKeyRROKRFCQUGIDMR-UHFFFAOYSA-N
MW345.50 g/mol
LogP6.03
Rot. Bonds9

About 4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole

4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole (PubChem CID 155347260) has the molecular formula C18H29F2NOS and a molecular weight of 345.50 g/mol. Its IUPAC name is 4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole
PubChem CID155347260
Molecular FormulaC18H29F2NOS
Molecular Weight345.50 g/mol
Exact Mass345.19
IUPAC Name4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole
SMILESCCCc1sc(OCC(C)(F)F)nc1CCCC1CCCCC1
InChIInChI=1S/C18H29F2NOS/c1-3-8-16-15(12-7-11-14-9-5-4-6-10-14)21-17(23-16)22-13-18(2,19)20/h14H,3-13H2,1-2H3
InChIKeyRROKRFCQUGIDMR-UHFFFAOYSA-N
XLogP6.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.50
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 142184090
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CID 142201070
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CID 155347357
CID 155347357
CID 155347376
CID 155347376
CID 155347379
CID 155347379
CID 155347427
CID 155347427
CID 157060118
CID 157060118
CID 170238945
CID 170238945
CID 12198349
CID 12198349
CID 53709733
CID 53709733

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole?
The IUPAC name of 4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole (CID 155347260) is 4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole.
What is the SMILES notation for 4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole?
The canonical SMILES for 4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole is CCCc1sc(OCC(C)(F)F)nc1CCCC1CCCCC1.
What is the InChIKey of 4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole?
The InChIKey is RROKRFCQUGIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F2NOS/c1-3-8-16-15(12-7-11-14-9-5-4-6-10-14)21-17(23-16)22-13-18(2,19)20/h14H,3-13H2,1-2H3.
What are the key properties of 4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole?
4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole has a molecular weight of 345.50 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpropyl)-2-(2,2-difluoropropoxy)-5-propyl-1,3-thiazole is sourced from PubChem (CID 155347260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).