N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

C20H17FN4O2S — CID 17422636

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)Nc3nc4ccc(F)cc4s3)cnc12
InChIInChI=1S/C20H17FN4O2S/c1-12-4-2-5-14-18(12)22-11-25(19(14)27)9-3-6-17(26)24-20-23-15-8-7-13(21)10-16(15)28-20/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,23,24,26)
InChIKeyRFXIKEUVWUEGFE-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.87
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (PubChem CID 17422636) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
PubChem CID17422636
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)Nc3nc4ccc(F)cc4s3)cnc12
InChIInChI=1S/C20H17FN4O2S/c1-12-4-2-5-14-18(12)22-11-25(19(14)27)9-3-6-17(26)24-20-23-15-8-7-13(21)10-16(15)28-20/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,23,24,26)
InChIKeyRFXIKEUVWUEGFE-UHFFFAOYSA-N
XLogP3.87
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24529057
4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
CID 17392331
N-(3-chloro-2-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 35860309
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17440622
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
methyl 5-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]thiophene-2-carboxylate
CID 24555893
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 55456627
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
CID 87424254
4-(2,5-dimethylthiophen-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 126420574
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16882084
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108806521

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide (CID 17422636) is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is Cc1cccc2c(=O)n(CCCC(=O)Nc3nc4ccc(F)cc4s3)cnc12.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
The InChIKey is RFXIKEUVWUEGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-12-4-2-5-14-18(12)22-11-25(19(14)27)9-3-6-17(26)24-20-23-15-8-7-13(21)10-16(15)28-20/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,23,24,26).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide has a molecular weight of 396.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 17422636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).