N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide

C16H17N5O2S — CID 137289762

IUPACN,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(CC)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N5O2S/c1-3-11-14(24-20-19-11)16(23)21(4-2)9-13-17-12-8-6-5-7-10(12)15(22)18-13/h5-8H,3-4,9H2,1-2H3,(H,17,18,22)
InChIKeyBHXGHXXWYVSQDL-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.00
Rot. Bonds5

About N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide

N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 137289762) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide
PubChem CID137289762
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(CC)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H17N5O2S/c1-3-11-14(24-20-19-11)16(23)21(4-2)9-13-17-12-8-6-5-7-10(12)15(22)18-13/h5-8H,3-4,9H2,1-2H3,(H,17,18,22)
InChIKeyBHXGHXXWYVSQDL-UHFFFAOYSA-N
XLogP2.00
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 137281094
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N,5-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135896382
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 135821179
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
5-bromo-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135893606
N-ethyl-1,3,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrazole-4-carboxamide
CID 137282497
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135702756
N-ethyl-3-(methylsulfanylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135821232
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
N-ethyl-2-(furan-2-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 137296733
N-ethyl-3-methyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135848570

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide (CID 137289762) is N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(CC)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is BHXGHXXWYVSQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-3-11-14(24-20-19-11)16(23)21(4-2)9-13-17-12-8-6-5-7-10(12)15(22)18-13/h5-8H,3-4,9H2,1-2H3,(H,17,18,22).
What are the key properties of N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide?
N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 137289762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).