N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C20H29N3O2S — CID 95770520

IUPACN-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCN(C)CC[C@H](NC(=O)c1cccc(OCc2cscn2)c1)C(C)(C)C
InChIInChI=1S/C20H29N3O2S/c1-20(2,3)18(9-10-23(4)5)22-19(24)15-7-6-8-17(11-15)25-12-16-13-26-14-21-16/h6-8,11,13-14,18H,9-10,12H2,1-5H3,(H,22,24)/t18-/m0/s1
InChIKeyZXPBIGXUMSJSFU-SFHVURJKSA-N
MW375.54 g/mol
LogP3.82
Rot. Bonds8

About N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 95770520) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID95770520
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCN(C)CC[C@H](NC(=O)c1cccc(OCc2cscn2)c1)C(C)(C)C
InChIInChI=1S/C20H29N3O2S/c1-20(2,3)18(9-10-23(4)5)22-19(24)15-7-6-8-17(11-15)25-12-16-13-26-14-21-16/h6-8,11,13-14,18H,9-10,12H2,1-5H3,(H,22,24)/t18-/m0/s1
InChIKeyZXPBIGXUMSJSFU-SFHVURJKSA-N
XLogP3.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide with MolForge

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Related Compounds

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55777758
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24682427
N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 86912306
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-propoxybenzamide
CID 106356268
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34972413
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134054636
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
[4-[2,2-dimethylpropanoyl(methyl)amino]phenyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86911740
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 43067592

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 95770520) is N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is CN(C)CC[C@H](NC(=O)c1cccc(OCc2cscn2)c1)C(C)(C)C.
What is the InChIKey of N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is ZXPBIGXUMSJSFU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-20(2,3)18(9-10-23(4)5)22-19(24)15-7-6-8-17(11-15)25-12-16-13-26-14-21-16/h6-8,11,13-14,18H,9-10,12H2,1-5H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 375.54 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 95770520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).