N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

C18H20N4S — CID 118736994

IUPACN-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCC1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C18H20N4S/c1-12-2-5-14(6-3-12)22-18-15-8-13(17-9-19-11-23-17)4-7-16(15)20-10-21-18/h4,7-12,14H,2-3,5-6H2,1H3,(H,20,21,22)
InChIKeyDMFWZMBVUGWLCQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.74
Rot. Bonds3

About N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736994) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736994
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC NameN-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCC1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1
InChIInChI=1S/C18H20N4S/c1-12-2-5-14(6-3-12)22-18-15-8-13(17-9-19-11-23-17)4-7-16(15)20-10-21-18/h4,7-12,14H,2-3,5-6H2,1H3,(H,20,21,22)
InChIKeyDMFWZMBVUGWLCQ-UHFFFAOYSA-N
XLogP4.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Timegadine
CID 68902
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
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N-(4-tert-butylthiazol-2-yl)quinolin-5-amine
CID 9900444
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11150562
({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)[2-(1,3-thiazol-2-yl)ethyl]amine
CID 24971388
8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-yl]-quinoline
CID 14722779
2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 1442829
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
N-(3,5-dimethylphenyl)-4-(thiazol-2-yl)pyrimidin-2-amine
CID 9856983
1-(5-Cyclobutyl-thiazol-2-yl)-3-quinolin-5-yl-urea
CID 9967051
Benzyl-[4-(2-ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-amine
CID 10134696
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]-N-(2-phenylethyl)amine
CID 10200958

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736994) is N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is CC1CCC(Nc2ncnc3ccc(-c4cncs4)cc23)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is DMFWZMBVUGWLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-12-2-5-14(6-3-12)22-18-15-8-13(17-9-19-11-23-17)4-7-16(15)20-10-21-18/h4,7-12,14H,2-3,5-6H2,1H3,(H,20,21,22).
What are the key properties of N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).