N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide

C22H32N4O3S — CID 91958362

IUPACN-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)CCCN(C)C)cc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C22H32N4O3S/c1-16(6-5-9-25(2)3)23-21(27)17-7-8-20(28-4)18(14-17)19-15-30-22(24-19)26-10-12-29-13-11-26/h7-8,14-16H,5-6,9-13H2,1-4H3,(H,23,27)
InChIKeyWJJJJBXUXWVHRC-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.12
Rot. Bonds9

About N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide

N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide (PubChem CID 91958362) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
PubChem CID91958362
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC NameN-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)CCCN(C)C)cc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C22H32N4O3S/c1-16(6-5-9-25(2)3)23-21(27)17-7-8-20(28-4)18(14-17)19-15-30-22(24-19)26-10-12-29-13-11-26/h7-8,14-16H,5-6,9-13H2,1-4H3,(H,23,27)
InChIKeyWJJJJBXUXWVHRC-UHFFFAOYSA-N
XLogP3.12
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide with MolForge

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Related Compounds

N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide
CID 91958345
(4-hydroxypiperidin-1-yl)-[4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanone
CID 91958350
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
CID 91958373
N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
CID 91958371
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
CID 91958372
4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 22283209
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 41248355
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 112797570
5-fluoro-2-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26012155
4-chloro-N-[(2S,3S)-3-methyl-1-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
CID 55937523
N-[(2R)-5-(diethylamino)pentan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 94813287
azepan-1-yl-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]-4-methoxyphenyl]methanone
CID 91958331

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide (CID 91958362) is N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide is COc1ccc(C(=O)NC(C)CCCN(C)C)cc1-c1csc(N2CCOCC2)n1.
What is the InChIKey of N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide?
The InChIKey is WJJJJBXUXWVHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-16(6-5-9-25(2)3)23-21(27)17-7-8-20(28-4)18(14-17)19-15-30-22(24-19)26-10-12-29-13-11-26/h7-8,14-16H,5-6,9-13H2,1-4H3,(H,23,27).
What are the key properties of N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide?
N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide has a molecular weight of 432.59 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)pentan-2-yl]-4-methoxy-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 91958362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).