N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C14H18N4OS — CID 138008559

IUPACN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOc1nscc1CN(C)c1ncnc2c1CCCC2
InChIInChI=1S/C14H18N4OS/c1-18(7-10-8-20-17-14(10)19-2)13-11-5-3-4-6-12(11)15-9-16-13/h8-9H,3-7H2,1-2H3
InChIKeyOHXSQUYVWGIPMN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.46
Rot. Bonds4

About N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 138008559) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID138008559
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCOc1nscc1CN(C)c1ncnc2c1CCCC2
InChIInChI=1S/C14H18N4OS/c1-18(7-10-8-20-17-14(10)19-2)13-11-5-3-4-6-12(11)15-9-16-13/h8-9H,3-7H2,1-2H3
InChIKeyOHXSQUYVWGIPMN-UHFFFAOYSA-N
XLogP2.46
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(3-methoxy-1,2-thiazol-4-yl)methyl-methylamino]pyrimidine-5-carboxylate
CID 136571606
N-methyl-N-(pyrimidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 138019220
N-(2-bromopropyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 80671403
N-[(3-bromocyclobutyl)methyl]-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 80680032
N-[2-(2-bromoethoxy)ethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114242666
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 62833182
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 62832603
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 70727919
9-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,N-dimethylpurin-6-amine
CID 146144142
2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]ethanol
CID 115672547
methyl 2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957317
N-(2-bromoethyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 80673331

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 138008559) is N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is COc1nscc1CN(C)c1ncnc2c1CCCC2.
What is the InChIKey of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is OHXSQUYVWGIPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18(7-10-8-20-17-14(10)19-2)13-11-5-3-4-6-12(11)15-9-16-13/h8-9H,3-7H2,1-2H3.
What are the key properties of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 290.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 138008559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).