2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone

C21H25N5O2S — CID 126895013

IUPAC2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone
SMILESCc1ncc(CC(=O)N2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)s1
InChIInChI=1S/C21H25N5O2S/c1-14(2)28-21-18-10-16(4-5-19(18)23-13-24-21)25-6-8-26(9-7-25)20(27)11-17-12-22-15(3)29-17/h4-5,10,12-14H,6-9,11H2,1-3H3
InChIKeyLPTPVRLMOWCPEW-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.07
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone (PubChem CID 126895013) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone
PubChem CID126895013
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone
SMILESCc1ncc(CC(=O)N2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)s1
InChIInChI=1S/C21H25N5O2S/c1-14(2)28-21-18-10-16(4-5-19(18)23-13-24-21)25-6-8-26(9-7-25)20(27)11-17-12-22-15(3)29-17/h4-5,10,12-14H,6-9,11H2,1-3H3
InChIKeyLPTPVRLMOWCPEW-UHFFFAOYSA-N
XLogP3.07
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977
6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126894994
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
CID 126895043
3-(2-hydroxyethyl)-7-[4-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126898584
1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 126895187
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198
2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 126895263
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
3-propan-2-yl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895053
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126894625
[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 126896440

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone (CID 126895013) is 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone is Cc1ncc(CC(=O)N2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone?
The InChIKey is LPTPVRLMOWCPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-14(2)28-21-18-10-16(4-5-19(18)23-13-24-21)25-6-8-26(9-7-25)20(27)11-17-12-22-15(3)29-17/h4-5,10,12-14H,6-9,11H2,1-3H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone has a molecular weight of 411.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-5-yl)-1-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 126895013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).