N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide

C18H21N3O2S — CID 91919009

IUPACN-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide
SMILESO=C(NCC1CC1)c1cccc(OC2CN(Cc3cncs3)C2)c1
InChIInChI=1S/C18H21N3O2S/c22-18(20-7-13-4-5-13)14-2-1-3-15(6-14)23-16-9-21(10-16)11-17-8-19-12-24-17/h1-3,6,8,12-13,16H,4-5,7,9-11H2,(H,20,22)
InChIKeyIOSIWWKBHZIZSK-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.55
Rot. Bonds7

About N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide

N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide (PubChem CID 91919009) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide
PubChem CID91919009
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide
SMILESO=C(NCC1CC1)c1cccc(OC2CN(Cc3cncs3)C2)c1
InChIInChI=1S/C18H21N3O2S/c22-18(20-7-13-4-5-13)14-2-1-3-15(6-14)23-16-9-21(10-16)11-17-8-19-12-24-17/h1-3,6,8,12-13,16H,4-5,7,9-11H2,(H,20,22)
InChIKeyIOSIWWKBHZIZSK-UHFFFAOYSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide
CID 91919031
N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72853080
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone
CID 91919055
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
3-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895865
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide
CID 75494574

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide (CID 91919009) is N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide is O=C(NCC1CC1)c1cccc(OC2CN(Cc3cncs3)C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide?
The InChIKey is IOSIWWKBHZIZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-18(20-7-13-4-5-13)14-2-1-3-15(6-14)23-16-9-21(10-16)11-17-8-19-12-24-17/h1-3,6,8,12-13,16H,4-5,7,9-11H2,(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide?
N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide has a molecular weight of 343.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide is sourced from PubChem (CID 91919009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).