[2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate

C14H17F2N3O3S — CID 118437506

IUPAC[2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate
SMILESNC(=O)OC1CC1c1csc(C(=O)NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H17F2N3O3S/c15-14(16)3-1-7(2-4-14)18-11(20)12-19-9(6-23-12)8-5-10(8)22-13(17)21/h6-8,10H,1-5H2,(H2,17,21)(H,18,20)
InChIKeyLPDHFBSNSHOHDI-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.40
Rot. Bonds4

About [2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate

[2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate (PubChem CID 118437506) has the molecular formula C14H17F2N3O3S and a molecular weight of 345.37 g/mol. Its IUPAC name is [2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate.

Molecular Properties

Compound Name[2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate
PubChem CID118437506
Molecular FormulaC14H17F2N3O3S
Molecular Weight345.37 g/mol
Exact Mass345.10
IUPAC Name[2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate
SMILESNC(=O)OC1CC1c1csc(C(=O)NC2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H17F2N3O3S/c15-14(16)3-1-7(2-4-14)18-11(20)12-19-9(6-23-12)8-5-10(8)22-13(17)21/h6-8,10H,1-5H2,(H2,17,21)(H,18,20)
InChIKeyLPDHFBSNSHOHDI-UHFFFAOYSA-N
XLogP2.40
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate?
The IUPAC name of [2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate (CID 118437506) is [2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate.
What is the SMILES notation for [2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate?
The canonical SMILES for [2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate is NC(=O)OC1CC1c1csc(C(=O)NC2CCC(F)(F)CC2)n1.
What is the InChIKey of [2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate?
The InChIKey is LPDHFBSNSHOHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O3S/c15-14(16)3-1-7(2-4-14)18-11(20)12-19-9(6-23-12)8-5-10(8)22-13(17)21/h6-8,10H,1-5H2,(H2,17,21)(H,18,20).
What are the key properties of [2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate?
[2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate has a molecular weight of 345.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4,4-difluorocyclohexyl)carbamoyl]-1,3-thiazol-4-yl]cyclopropyl] carbamate is sourced from PubChem (CID 118437506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).