(3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C24H26ClN5O2S — CID 155985554

IUPAC(3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1cnc(Nc2ccnc(CC3COC4(CCN(C(=O)c5cccc(Cl)c5)CC4)C3)n2)s1
InChIInChI=1S/C24H26ClN5O2S/c1-16-14-27-23(33-16)29-20-5-8-26-21(28-20)11-17-13-24(32-15-17)6-9-30(10-7-24)22(31)18-3-2-4-19(25)12-18/h2-5,8,12,14,17H,6-7,9-11,13,15H2,1H3,(H,26,27,28,29)
InChIKeyZNWVCGRHTBZGIC-UHFFFAOYSA-N
MW484.03 g/mol
LogP4.89
Rot. Bonds5

About (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 155985554) has the molecular formula C24H26ClN5O2S and a molecular weight of 484.03 g/mol. Its IUPAC name is (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID155985554
Molecular FormulaC24H26ClN5O2S
Molecular Weight484.03 g/mol
Exact Mass483.15
IUPAC Name(3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1cnc(Nc2ccnc(CC3COC4(CCN(C(=O)c5cccc(Cl)c5)CC4)C3)n2)s1
InChIInChI=1S/C24H26ClN5O2S/c1-16-14-27-23(33-16)29-20-5-8-26-21(28-20)11-17-13-24(32-15-17)6-9-30(10-7-24)22(31)18-3-2-4-19(25)12-18/h2-5,8,12,14,17H,6-7,9-11,13,15H2,1H3,(H,26,27,28,29)
InChIKeyZNWVCGRHTBZGIC-UHFFFAOYSA-N
XLogP4.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.03
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 175658735
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CID 155985528
[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110269486
[4-[4-(2-chloroanilino)pyrimidin-2-yl]piperazin-1-yl]-(3-chlorophenyl)methanone
CID 134796457
3-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4559201
6-[(5-methyl-1,3-thiazol-2-yl)amino]pyridine-2-carboxylic acid
CID 62254475
(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475712
[2-(3-chloroanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261603
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 155985554) is (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cc1cnc(Nc2ccnc(CC3COC4(CCN(C(=O)c5cccc(Cl)c5)CC4)C3)n2)s1.
What is the InChIKey of (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is ZNWVCGRHTBZGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2S/c1-16-14-27-23(33-16)29-20-5-8-26-21(28-20)11-17-13-24(32-15-17)6-9-30(10-7-24)22(31)18-3-2-4-19(25)12-18/h2-5,8,12,14,17H,6-7,9-11,13,15H2,1H3,(H,26,27,28,29).
What are the key properties of (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 484.03 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 155985554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).