6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one

C14H15N5OS — CID 136852743

IUPAC6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one
SMILESCC(CNc1nc2ccc(N)cc2c(=O)[nH]1)c1nccs1
InChIInChI=1S/C14H15N5OS/c1-8(13-16-4-5-21-13)7-17-14-18-11-3-2-9(15)6-10(11)12(20)19-14/h2-6,8H,7,15H2,1H3,(H2,17,18,19,20)
InChIKeyADUKVUQFIAIFQS-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.18
Rot. Bonds4

About 6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one

6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one (PubChem CID 136852743) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one
PubChem CID136852743
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one
SMILESCC(CNc1nc2ccc(N)cc2c(=O)[nH]1)c1nccs1
InChIInChI=1S/C14H15N5OS/c1-8(13-16-4-5-21-13)7-17-14-18-11-3-2-9(15)6-10(11)12(20)19-14/h2-6,8H,7,15H2,1H3,(H2,17,18,19,20)
InChIKeyADUKVUQFIAIFQS-UHFFFAOYSA-N
XLogP2.18
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.18
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-2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
CID 136809074
6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one
CID 136809224
6-amino-2-[(2-ethyl-4-hydroxybutyl)amino]-3H-quinazolin-4-one
CID 136809168
6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one
CID 136809010
6-amino-2-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987740
6-amino-2-(2,2,3,3-tetrafluoropropylamino)-3H-quinazolin-4-one
CID 136819382
6-amino-2-(4-hydroxypentan-2-ylamino)-3H-quinazolin-4-one
CID 136809233
2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
CID 167753419
6-amino-2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809282
2-[(6-amino-4-oxo-3H-quinazolin-2-yl)amino]-N,N-dimethylethanesulfonamide
CID 136757554
6-amino-2-[1-(diethylamino)propan-2-ylamino]-3H-quinazolin-4-one
CID 136808930
6-amino-2-[(1-hydroxy-4-methylpentan-3-yl)amino]-3H-quinazolin-4-one
CID 136784856

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one (CID 136852743) is 6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one is CC(CNc1nc2ccc(N)cc2c(=O)[nH]1)c1nccs1.
What is the InChIKey of 6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one?
The InChIKey is ADUKVUQFIAIFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8(13-16-4-5-21-13)7-17-14-18-11-3-2-9(15)6-10(11)12(20)19-14/h2-6,8H,7,15H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one?
6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one has a molecular weight of 301.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[2-(1,3-thiazol-2-yl)propylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 136852743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).