N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C18H24N4O2S — CID 91626460

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)c3sc(C)nc3C)CC2)n1
InChIInChI=1S/C18H24N4O2S/c1-10-9-11(2)20-18(19-10)24-15-7-5-14(6-8-15)22-17(23)16-12(3)21-13(4)25-16/h9,14-15H,5-8H2,1-4H3,(H,22,23)
InChIKeyZDLHQLCFBYCRFT-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.29
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 91626460) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID91626460
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)c3sc(C)nc3C)CC2)n1
InChIInChI=1S/C18H24N4O2S/c1-10-9-11(2)20-18(19-10)24-15-7-5-14(6-8-15)22-17(23)16-12(3)21-13(4)25-16/h9,14-15H,5-8H2,1-4H3,(H,22,23)
InChIKeyZDLHQLCFBYCRFT-UHFFFAOYSA-N
XLogP3.29
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 91626460) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1cc(C)nc(OC2CCC(NC(=O)c3sc(C)nc3C)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZDLHQLCFBYCRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-10-9-11(2)20-18(19-10)24-15-7-5-14(6-8-15)22-17(23)16-12(3)21-13(4)25-16/h9,14-15H,5-8H2,1-4H3,(H,22,23).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91626460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).