[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone

C21H27N3O2S — CID 126783722

IUPAC[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(NCc2csc(C3CCCCC3)n2)cc1)N1CCOCC1
InChIInChI=1S/C21H27N3O2S/c25-21(24-10-12-26-13-11-24)17-6-8-18(9-7-17)22-14-19-15-27-20(23-19)16-4-2-1-3-5-16/h6-9,15-16,22H,1-5,10-14H2
InChIKeyWNWZNQWWFMAZCL-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.28
Rot. Bonds5

About [4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone

[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone (PubChem CID 126783722) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is [4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone
PubChem CID126783722
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(NCc2csc(C3CCCCC3)n2)cc1)N1CCOCC1
InChIInChI=1S/C21H27N3O2S/c25-21(24-10-12-26-13-11-24)17-6-8-18(9-7-17)22-14-19-15-27-20(23-19)16-4-2-1-3-5-16/h6-9,15-16,22H,1-5,10-14H2
InChIKeyWNWZNQWWFMAZCL-UHFFFAOYSA-N
XLogP4.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 71972939
[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone
CID 110006533
[4-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 118757978
2-chloro-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methylamino]-N-methylbenzamide
CID 75494938
N-[[2-[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 95097143
N-tert-butyl-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832569
N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86946923
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53037742
N-[2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841887
trans-(1S,2S)-2-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1080146
N-[[2-[1-(3-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842151

Frequently Asked Questions

What is the IUPAC name of [4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone (CID 126783722) is [4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(NCc2csc(C3CCCCC3)n2)cc1)N1CCOCC1.
What is the InChIKey of [4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is WNWZNQWWFMAZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c25-21(24-10-12-26-13-11-24)17-6-8-18(9-7-17)22-14-19-15-27-20(23-19)16-4-2-1-3-5-16/h6-9,15-16,22H,1-5,10-14H2.
What are the key properties of [4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone?
[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 385.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-cyclohexyl-1,3-thiazol-4-yl)methylamino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 126783722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).