3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine

C20H30N4OS — CID 138033328

IUPAC3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine
SMILESCc1nn(Cc2nc(C3CCCCC3)cs2)c(C)c1C1COCCN1C
InChIInChI=1S/C20H30N4OS/c1-14-20(18-12-25-10-9-23(18)3)15(2)24(22-14)11-19-21-17(13-26-19)16-7-5-4-6-8-16/h13,16,18H,4-12H2,1-3H3
InChIKeyQCXABOABYYBBOP-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.06
Rot. Bonds4

About 3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine

3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine (PubChem CID 138033328) has the molecular formula C20H30N4OS and a molecular weight of 374.55 g/mol. Its IUPAC name is 3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine.

Molecular Properties

Compound Name3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine
PubChem CID138033328
Molecular FormulaC20H30N4OS
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine
SMILESCc1nn(Cc2nc(C3CCCCC3)cs2)c(C)c1C1COCCN1C
InChIInChI=1S/C20H30N4OS/c1-14-20(18-12-25-10-9-23(18)3)15(2)24(22-14)11-19-21-17(13-26-19)16-7-5-4-6-8-16/h13,16,18H,4-12H2,1-3H3
InChIKeyQCXABOABYYBBOP-UHFFFAOYSA-N
XLogP4.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine?
The IUPAC name of 3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine (CID 138033328) is 3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine.
What is the SMILES notation for 3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine?
The canonical SMILES for 3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine is Cc1nn(Cc2nc(C3CCCCC3)cs2)c(C)c1C1COCCN1C.
What is the InChIKey of 3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine?
The InChIKey is QCXABOABYYBBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4OS/c1-14-20(18-12-25-10-9-23(18)3)15(2)24(22-14)11-19-21-17(13-26-19)16-7-5-4-6-8-16/h13,16,18H,4-12H2,1-3H3.
What are the key properties of 3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine?
3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine has a molecular weight of 374.55 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methylmorpholine is sourced from PubChem (CID 138033328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).