N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H17N3O2S — CID 51277736

IUPACN-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C17H17N3O2S/c1-2-8-19(12-13-6-4-3-5-7-13)15(21)14-11-18-17-20(16(14)22)9-10-23-17/h3-7,9-11H,2,8,12H2,1H3
InChIKeyXJSCMUQVTDTOOB-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.81
Rot. Bonds5

About N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51277736) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51277736
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C17H17N3O2S/c1-2-8-19(12-13-6-4-3-5-7-13)15(21)14-11-18-17-20(16(14)22)9-10-23-17/h3-7,9-11H,2,8,12H2,1H3
InChIKeyXJSCMUQVTDTOOB-UHFFFAOYSA-N
XLogP2.81
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3587532
3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 61007953
N-methyl-N-[(2-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51255229
2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 63069932
N-(2-methylpropyl)-5-oxo-N-[(E)-3-phenylprop-2-enyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 50953235
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 107482917
N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120649912
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18117640
N-methyl-5-oxo-N-[(2-pyrrolidin-1-ylphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51257189
5-oxo-N-propyl-N-pyrrolidin-3-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 119532423
3-methyl-2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65220305
N-cyclopropyl-5-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99440786

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51277736) is N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCCN(Cc1ccccc1)C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XJSCMUQVTDTOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-8-19(12-13-6-4-3-5-7-13)15(21)14-11-18-17-20(16(14)22)9-10-23-17/h3-7,9-11H,2,8,12H2,1H3.
What are the key properties of N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51277736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).