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

C14H15N5OS — CID 136670219

IUPAC6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
SMILESCc1cnc(C(C)Nc2cc3nc[nH]c(=O)c3cc2N)s1
InChIInChI=1S/C14H15N5OS/c1-7-5-16-14(21-7)8(2)19-12-4-11-9(3-10(12)15)13(20)18-6-17-11/h3-6,8,19H,15H2,1-2H3,(H,17,18,20)
InChIKeyPNAOJUMHVQWTKL-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.44
Rot. Bonds3

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

6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one (PubChem CID 136670219) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
PubChem CID136670219
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
SMILESCc1cnc(C(C)Nc2cc3nc[nH]c(=O)c3cc2N)s1
InChIInChI=1S/C14H15N5OS/c1-7-5-16-14(21-7)8(2)19-12-4-11-9(3-10(12)15)13(20)18-6-17-11/h3-6,8,19H,15H2,1-2H3,(H,17,18,20)
InChIKeyPNAOJUMHVQWTKL-UHFFFAOYSA-N
XLogP2.44
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-7-[(1-ethoxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136824079
6-amino-7-[[(3S)-3-hydroxybutyl]amino]-3H-quinazolin-4-one
CID 136751771
6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 136690649
6-amino-7-[(4-hydroxy-2-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136984779
6-amino-7-(thian-4-ylamino)-3H-quinazolin-4-one
CID 136952216
6-amino-7-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987739
6-amino-7-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-quinazolin-4-one
CID 136819009
6-amino-7-(2-ethylsulfinylethylamino)-3H-quinazolin-4-one
CID 136969146
6-amino-7-(2,6-dibromoanilino)-3H-quinazolin-4-one
CID 136697016
6-amino-7-(thian-3-ylamino)-3H-quinazolin-4-one
CID 136952215
2-amino-5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 113387502
7-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-6-nitro-3H-quinazolin-4-one
CID 137275485

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one (CID 136670219) is 6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one is Cc1cnc(C(C)Nc2cc3nc[nH]c(=O)c3cc2N)s1.
What is the InChIKey of 6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one?
The InChIKey is PNAOJUMHVQWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-7-5-16-14(21-7)8(2)19-12-4-11-9(3-10(12)15)13(20)18-6-17-11/h3-6,8,19H,15H2,1-2H3,(H,17,18,20).
What are the key properties of 6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one?
6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one has a molecular weight of 301.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136670219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).