2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide

C16H16F2N2O2S — CID 110021576

IUPAC2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCC1O)c1csc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H16F2N2O2S/c17-10-6-5-9(7-11(10)18)16-20-13(8-23-16)15(22)19-12-3-1-2-4-14(12)21/h5-8,12,14,21H,1-4H2,(H,19,22)
InChIKeyMCZSKUGGNVKXHQ-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.12
Rot. Bonds3

About 2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide

2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 110021576) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID110021576
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCCC1O)c1csc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C16H16F2N2O2S/c17-10-6-5-9(7-11(10)18)16-20-13(8-23-16)15(22)19-12-3-1-2-4-14(12)21/h5-8,12,14,21H,1-4H2,(H,19,22)
InChIKeyMCZSKUGGNVKXHQ-UHFFFAOYSA-N
XLogP3.12
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide (CID 110021576) is 2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide is O=C(NC1CCCCC1O)c1csc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MCZSKUGGNVKXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c17-10-6-5-9(7-11(10)18)16-20-13(8-23-16)15(22)19-12-3-1-2-4-14(12)21/h5-8,12,14,21H,1-4H2,(H,19,22).
What are the key properties of 2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide?
2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(2-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110021576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).