8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide

C15H17N5OS — CID 24970388

IUPAC8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
SMILESCCn1cnc2ccc3nc(/C(N)=N/C(C)C)sc3c2c1=O
InChIInChI=1S/C15H17N5OS/c1-4-20-7-17-9-5-6-10-12(11(9)15(20)21)22-14(19-10)13(16)18-8(2)3/h5-8H,4H2,1-3H3,(H2,16,18)
InChIKeyJBGGTHOWDDUOMW-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.14
Rot. Bonds3

About 8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide

8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide (PubChem CID 24970388) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide.

Molecular Properties

Compound Name8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
PubChem CID24970388
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
SMILESCCn1cnc2ccc3nc(/C(N)=N/C(C)C)sc3c2c1=O
InChIInChI=1S/C15H17N5OS/c1-4-20-7-17-9-5-6-10-12(11(9)15(20)21)22-14(19-10)13(16)18-8(2)3/h5-8H,4H2,1-3H3,(H2,16,18)
InChIKeyJBGGTHOWDDUOMW-UHFFFAOYSA-N
XLogP2.14
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

8-Cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
CID 145997893
3-(1,3-Benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
N-(2-(dimethylamino)ethyl)-8-isopropyl-9-oxo-8,9-dihydrothiazolo[5,4-f]quinazoline-2-carboxamidine
CID 16007031
8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid isopropyl ester
CID 24970385
8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid butyl ester
CID 24970386
2-Phenylethyl 8-ethyl-9-oxo-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 24970387
8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid ethyl ester
CID 24970432
8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid butyl ester
CID 24970433
N'-benzyl-9-oxo-8-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
CID 24970435
8-Ethyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid benzyl ester
CID 24970436
8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid isopropyl ester
CID 24970437
8-Isopropyl-9-oxo-8,9-dihydro-thiazolo[5,4-f]quinazoline-2-carboximidic acid benzyl ester
CID 24970438

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
The IUPAC name of 8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide (CID 24970388) is 8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide.
What is the SMILES notation for 8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
The canonical SMILES for 8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide is CCn1cnc2ccc3nc(/C(N)=N/C(C)C)sc3c2c1=O.
What is the InChIKey of 8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
The InChIKey is JBGGTHOWDDUOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-4-20-7-17-9-5-6-10-12(11(9)15(20)21)22-14(19-10)13(16)18-8(2)3/h5-8H,4H2,1-3H3,(H2,16,18).
What are the key properties of 8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide?
8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide has a molecular weight of 315.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-9-oxo-N'-propan-2-yl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide is sourced from PubChem (CID 24970388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).