N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide

C14H18F2N2O2S — CID 154842851

IUPACN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
SMILESO=C(NCC1(O)CCC(F)(F)CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H18F2N2O2S/c15-14(16)6-4-13(20,5-7-14)8-17-11(19)12-18-9-2-1-3-10(9)21-12/h20H,1-8H2,(H,17,19)
InChIKeyIOLBACQRWAILFR-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.30
Rot. Bonds3

About N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide

N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide (PubChem CID 154842851) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
PubChem CID154842851
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC NameN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
SMILESO=C(NCC1(O)CCC(F)(F)CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H18F2N2O2S/c15-14(16)6-4-13(20,5-7-14)8-17-11(19)12-18-9-2-1-3-10(9)21-12/h20H,1-8H2,(H,17,19)
InChIKeyIOLBACQRWAILFR-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide (CID 154842851) is N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide is O=C(NCC1(O)CCC(F)(F)CC1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The InChIKey is IOLBACQRWAILFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S/c15-14(16)6-4-13(20,5-7-14)8-17-11(19)12-18-9-2-1-3-10(9)21-12/h20H,1-8H2,(H,17,19).
What are the key properties of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 154842851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).