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

C12H12N4OS — CID 169316242

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1csc(Nc2ncc3c(n2)CCCC3=O)n1
InChIInChI=1S/C12H12N4OS/c1-7-6-18-12(14-7)16-11-13-5-8-9(15-11)3-2-4-10(8)17/h5-6H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyAJHUATJHOPEDQH-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.50
Rot. Bonds2

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

2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 169316242) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID169316242
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1csc(Nc2ncc3c(n2)CCCC3=O)n1
InChIInChI=1S/C12H12N4OS/c1-7-6-18-12(14-7)16-11-13-5-8-9(15-11)3-2-4-10(8)17/h5-6H,2-4H2,1H3,(H,13,14,15,16)
InChIKeyAJHUATJHOPEDQH-UHFFFAOYSA-N
XLogP2.50
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
CID 665464
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
CID 666505
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)pyrimidine-5-carboxamide
CID 172436816
2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one
CID 13792523
1-(2-{[3-(2-Amino-1,3-thiazol-4-YL)propyl]amino}-4-methylpyrimidin-5-YL)ethanone
CID 72933882
2-[[4-(trifluoromethyl)thiophen-3-yl]methylsulfanyl]-7,8-dihydro-6H-quinazolin-5-one
CID 166276157
N-(7-methyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 17027668
N~1~-(7-methyl-5-oxo-5,6,7,8-tetrahydro-2-quinazolinyl)-2-(2-pyrimidinylsulfanyl)acetamide
CID 17027673
Acetamide,n-[4,5,6,7-tetrahydro-7-oxo-6-(5-pyrimidinylcarbonyl)-2-benzo[d]thiazolyl]-
CID 59255862
S-ethyl N-[7-oxo-6-(pyrimidine-5-carbonyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]carbamothioate
CID 59255920
(E)-6-((dimethylamino)methylene)-2-(methylthio)-7,8-dihydroquinazolin-5(6H)-one
CID 59490766
(6Z)-6-(dimethylaminomethylidene)-2-methylsulfanyl-7,8-dihydroquinazolin-5-one
CID 67426323

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one (CID 169316242) is 2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is Cc1csc(Nc2ncc3c(n2)CCCC3=O)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is AJHUATJHOPEDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7-6-18-12(14-7)16-11-13-5-8-9(15-11)3-2-4-10(8)17/h5-6H,2-4H2,1H3,(H,13,14,15,16).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one?
2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 260.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 169316242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).