N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide

C27H24N4O2S — CID 56925019

IUPACN-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CN(C2CN(C(=O)c3ccc4cc(-c5ccccc5)ccc4c3)C2)C1)c1nccs1
InChIInChI=1S/C27H24N4O2S/c32-25(26-28-10-11-34-26)29-23-14-30(15-23)24-16-31(17-24)27(33)22-9-8-20-12-19(6-7-21(20)13-22)18-4-2-1-3-5-18/h1-13,23-24H,14-17H2,(H,29,32)
InChIKeyCBFBPNVDJJJSEL-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.90
Rot. Bonds5

About N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide

N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide (PubChem CID 56925019) has the molecular formula C27H24N4O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
PubChem CID56925019
Molecular FormulaC27H24N4O2S
Molecular Weight468.58 g/mol
Exact Mass468.16
IUPAC NameN-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CN(C2CN(C(=O)c3ccc4cc(-c5ccccc5)ccc4c3)C2)C1)c1nccs1
InChIInChI=1S/C27H24N4O2S/c32-25(26-28-10-11-34-26)29-23-14-30(15-23)24-16-31(17-24)27(33)22-9-8-20-12-19(6-7-21(20)13-22)18-4-2-1-3-5-18/h1-13,23-24H,14-17H2,(H,29,32)
InChIKeyCBFBPNVDJJJSEL-UHFFFAOYSA-N
XLogP3.90
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
CID 56924986
N-[1-[1-[1-(3,4-difluorophenyl)indole-5-carbonyl]azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
CID 56925181
N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide
CID 66605759
(2-phenyl-3H-benzimidazol-5-yl)-[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840197
(2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840347
(4-phenylphenyl)-[3-[[(3S)-1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]amino]azetidin-1-yl]methanone
CID 56963413
(3-phenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840730
(2,3-diphenyl-1H-indol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840418
(4-pyrimidin-5-ylphenyl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840043
[6-phenyl-3-(trifluoromethyl)-1-benzothiophen-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840728
(1-pyrimidin-2-ylindol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66839937
1-naphthalen-2-yl-3-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 66771883

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide (CID 56925019) is N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide is O=C(NC1CN(C2CN(C(=O)c3ccc4cc(-c5ccccc5)ccc4c3)C2)C1)c1nccs1.
What is the InChIKey of N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is CBFBPNVDJJJSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2S/c32-25(26-28-10-11-34-26)29-23-14-30(15-23)24-16-31(17-24)27(33)22-9-8-20-12-19(6-7-21(20)13-22)18-4-2-1-3-5-18/h1-13,23-24H,14-17H2,(H,29,32).
What are the key properties of N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide?
N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 56925019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).