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

C15H17FN4O2S — CID 91626359

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cs1
InChIInChI=1S/C15H17FN4O2S/c1-9-19-13(8-23-9)14(21)20-11-2-4-12(5-3-11)22-15-17-6-10(16)7-18-15/h6-8,11-12H,2-5H2,1H3,(H,20,21)
InChIKeyWBZUMNMZKJBUJG-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.50
Rot. Bonds4

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

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 91626359) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID91626359
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cs1
InChIInChI=1S/C15H17FN4O2S/c1-9-19-13(8-23-9)14(21)20-11-2-4-12(5-3-11)22-15-17-6-10(16)7-18-15/h6-8,11-12H,2-5H2,1H3,(H,20,21)
InChIKeyWBZUMNMZKJBUJG-UHFFFAOYSA-N
XLogP2.50
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.50
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-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 91626359) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cs1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is WBZUMNMZKJBUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-9-19-13(8-23-9)14(21)20-11-2-4-12(5-3-11)22-15-17-6-10(16)7-18-15/h6-8,11-12H,2-5H2,1H3,(H,20,21).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.50, 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-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91626359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).