N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C16H19FN4O2S — CID 91626386

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)s1
InChIInChI=1S/C16H19FN4O2S/c1-9-14(24-10(2)20-9)15(22)21-12-3-5-13(6-4-12)23-16-18-7-11(17)8-19-16/h7-8,12-13H,3-6H2,1-2H3,(H,21,22)
InChIKeyIWPFKMGHVOWNQC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.81
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 91626386) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID91626386
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)s1
InChIInChI=1S/C16H19FN4O2S/c1-9-14(24-10(2)20-9)15(22)21-12-3-5-13(6-4-12)23-16-18-7-11(17)8-19-16/h7-8,12-13H,3-6H2,1-2H3,(H,21,22)
InChIKeyIWPFKMGHVOWNQC-UHFFFAOYSA-N
XLogP2.81
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 91626386) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)s1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is IWPFKMGHVOWNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-9-14(24-10(2)20-9)15(22)21-12-3-5-13(6-4-12)23-16-18-7-11(17)8-19-16/h7-8,12-13H,3-6H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91626386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).