N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

C18H20N2O2S — CID 24659217

IUPACN-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NC(C1CC1)C1CC1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C18H20N2O2S/c21-18(20-17(12-4-5-12)13-6-7-13)14-2-1-3-16(8-14)22-9-15-10-23-11-19-15/h1-3,8,10-13,17H,4-7,9H2,(H,20,21)
InChIKeyHHKOQPBBPUQTHA-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.64
Rot. Bonds7

About N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 24659217) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID24659217
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(NC(C1CC1)C1CC1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C18H20N2O2S/c21-18(20-17(12-4-5-12)13-6-7-13)14-2-1-3-16(8-14)22-9-15-10-23-11-19-15/h1-3,8,10-13,17H,4-7,9H2,(H,20,21)
InChIKeyHHKOQPBBPUQTHA-UHFFFAOYSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55777758
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-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 95770520
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 43067592
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 94017091

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 24659217) is N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(NC(C1CC1)C1CC1)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is HHKOQPBBPUQTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-18(20-17(12-4-5-12)13-6-7-13)14-2-1-3-16(8-14)22-9-15-10-23-11-19-15/h1-3,8,10-13,17H,4-7,9H2,(H,20,21).
What are the key properties of N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 328.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 24659217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).