N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine

C16H22N4S — CID 62795182

IUPACN,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(Cc3nc(C)cs3)ncc21
InChIInChI=1S/C16H22N4S/c1-10-9-21-15(19-10)5-14-18-8-11-12(17-4)6-16(2,3)7-13(11)20-14/h8-9,12,17H,5-7H2,1-4H3
InChIKeyMKYHTHCLECTHMV-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.07
Rot. Bonds3

About N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine

N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 62795182) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound NameN,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID62795182
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
SMILESCNC1CC(C)(C)Cc2nc(Cc3nc(C)cs3)ncc21
InChIInChI=1S/C16H22N4S/c1-10-9-21-15(19-10)5-14-18-8-11-12(17-4)6-16(2,3)7-13(11)20-14/h8-9,12,17H,5-7H2,1-4H3
InChIKeyMKYHTHCLECTHMV-UHFFFAOYSA-N
XLogP3.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine with MolForge

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Related Compounds

2-(methoxymethyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62009698
2-[2-(2-methoxyethoxy)ethyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 102928806
N-ethyl-2-(ethylsulfanylmethyl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 65128118
2-(5-bromothiophen-2-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62008503
2-(2-bromophenyl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 62009697
2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 116728350
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62796209
N-methyl-1-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62795004
2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 64985716
2-N,2-N-diethyl-7,7-dimethyl-5-N-propyl-6,8-dihydro-5H-quinazoline-2,5-diamine
CID 62010103
[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 55120817
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110237660

Frequently Asked Questions

What is the IUPAC name of N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (CID 62795182) is N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is CNC1CC(C)(C)Cc2nc(Cc3nc(C)cs3)ncc21.
What is the InChIKey of N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is MKYHTHCLECTHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-10-9-21-15(19-10)5-14-18-8-11-12(17-4)6-16(2,3)7-13(11)20-14/h8-9,12,17H,5-7H2,1-4H3.
What are the key properties of N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?
N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 302.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,7-trimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 62795182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).