N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide

C24H21N5O3S — CID 127051737

IUPACN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(C2(O)CCCC2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1
InChIInChI=1S/C24H21N5O3S/c30-22(13-29-12-21(27-28-29)24(31)9-3-4-10-24)26-23-25-18(14-33-23)15-7-8-20-17(11-15)16-5-1-2-6-19(16)32-20/h1-2,5-8,11-12,14,31H,3-4,9-10,13H2,(H,25,26,30)
InChIKeyWEFDQRIKZGSROM-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.70
Rot. Bonds5

About N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide

N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide (PubChem CID 127051737) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide
PubChem CID127051737
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(C2(O)CCCC2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1
InChIInChI=1S/C24H21N5O3S/c30-22(13-29-12-21(27-28-29)24(31)9-3-4-10-24)26-23-25-18(14-33-23)15-7-8-20-17(11-15)16-5-1-2-6-19(16)32-20/h1-2,5-8,11-12,14,31H,3-4,9-10,13H2,(H,25,26,30)
InChIKeyWEFDQRIKZGSROM-UHFFFAOYSA-N
XLogP4.70
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide
CID 127048255
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
CID 127048589
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide
CID 127048590
2-[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]-N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)acetamide
CID 127048591
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide
CID 127048592
2-[4-(4-tert-butylphenyl)triazol-1-yl]-N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)acetamide
CID 127048611
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-pentylphenyl)triazol-1-yl]acetamide
CID 127048942
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide
CID 127048943
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide
CID 127048944
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-pentyltriazol-1-yl)acetamide
CID 127048945
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-propyltriazol-1-yl)acetamide
CID 127048946
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
CID 127051724

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide?
The IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide (CID 127051737) is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide is O=C(Cn1cc(C2(O)CCCC2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1.
What is the InChIKey of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide?
The InChIKey is WEFDQRIKZGSROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c30-22(13-29-12-21(27-28-29)24(31)9-3-4-10-24)26-23-25-18(14-33-23)15-7-8-20-17(11-15)16-5-1-2-6-19(16)32-20/h1-2,5-8,11-12,14,31H,3-4,9-10,13H2,(H,25,26,30).
What are the key properties of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide?
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide has a molecular weight of 459.53 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(1-hydroxycyclopentyl)triazol-1-yl]acetamide is sourced from PubChem (CID 127051737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).