N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide

C18H23N3O2S — CID 108726888

IUPACN-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1
InChIInChI=1S/C18H23N3O2S/c1-2-6-16(22)19-18-20-17(14-7-4-3-5-8-14)15(24-18)13-21-9-11-23-12-10-21/h3-5,7-8H,2,6,9-13H2,1H3,(H,19,20,22)
InChIKeyYHHVECSZXXFTIS-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.38
Rot. Bonds6

About N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide

N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide (PubChem CID 108726888) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
PubChem CID108726888
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1
InChIInChI=1S/C18H23N3O2S/c1-2-6-16(22)19-18-20-17(14-7-4-3-5-8-14)15(24-18)13-21-9-11-23-12-10-21/h3-5,7-8H,2,6,9-13H2,1H3,(H,19,20,22)
InChIKeyYHHVECSZXXFTIS-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]pentanamide
CID 108726837
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 108750995
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 16644485
2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 108750928
2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108726929
2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 108750942
[3-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108750906
2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108750977
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 108780412
4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 108780400

Frequently Asked Questions

What is the IUPAC name of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide (CID 108726888) is N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccccc2)c(CN2CCOCC2)s1.
What is the InChIKey of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide?
The InChIKey is YHHVECSZXXFTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-6-16(22)19-18-20-17(14-7-4-3-5-8-14)15(24-18)13-21-9-11-23-12-10-21/h3-5,7-8H,2,6,9-13H2,1H3,(H,19,20,22).
What are the key properties of N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide?
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide has a molecular weight of 345.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 108726888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).