N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine

C18H21N5O2S — CID 167798321

IUPACN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine
SMILESCOc1cc(CN(C)c2ncnc3ccc(N4CCOCC4)cc23)sn1
InChIInChI=1S/C18H21N5O2S/c1-22(11-14-10-17(24-2)21-26-14)18-15-9-13(23-5-7-25-8-6-23)3-4-16(15)19-12-20-18/h3-4,9-10,12H,5-8,11H2,1-2H3
InChIKeyIIXYWDICDYGPKR-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.57
Rot. Bonds5

About N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine

N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine (PubChem CID 167798321) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine
PubChem CID167798321
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine
SMILESCOc1cc(CN(C)c2ncnc3ccc(N4CCOCC4)cc23)sn1
InChIInChI=1S/C18H21N5O2S/c1-22(11-14-10-17(24-2)21-26-14)18-15-9-13(23-5-7-25-8-6-23)3-4-16(15)19-12-20-18/h3-4,9-10,12H,5-8,11H2,1-2H3
InChIKeyIIXYWDICDYGPKR-UHFFFAOYSA-N
XLogP2.57
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-6-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]quinazolin-4-amine
CID 126895886
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 138050729
N-[1-(6-methoxy-3-pyridinyl)ethyl]-6-morpholin-4-ylquinazolin-4-amine
CID 166284258
6-morpholin-4-yl-N-propylquinazolin-4-amine
CID 56942638
3-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126895764
6-[4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N,N-dimethylquinazolin-4-amine
CID 126895937
N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
CID 126895928
6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 68878121
N-[2-chloro-4-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-6-methoxy-N-methylpyridazin-3-amine
CID 159396338
6-[4-(1,4-dioxepan-6-ylmethyl)piperazin-1-yl]-4-methoxyquinazoline
CID 126894882
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
N-(4-morpholin-4-ylphenyl)-N-propan-2-yl-6-thiophen-2-ylquinazolin-4-amine
CID 15956196

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine?
The IUPAC name of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine (CID 167798321) is N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine is COc1cc(CN(C)c2ncnc3ccc(N4CCOCC4)cc23)sn1.
What is the InChIKey of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine?
The InChIKey is IIXYWDICDYGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-22(11-14-10-17(24-2)21-26-14)18-15-9-13(23-5-7-25-8-6-23)3-4-16(15)19-12-20-18/h3-4,9-10,12H,5-8,11H2,1-2H3.
What are the key properties of N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine?
N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine has a molecular weight of 371.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N-methyl-6-morpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 167798321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).