N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H14N4O2S2 — CID 86860599

IUPACN-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(CNC(=O)c1cnc2sccn2c1=O)c1nc2ccccc2s1
InChIInChI=1S/C17H14N4O2S2/c1-10(15-20-12-4-2-3-5-13(12)25-15)8-18-14(22)11-9-19-17-21(16(11)23)6-7-24-17/h2-7,9-10H,8H2,1H3,(H,18,22)
InChIKeyAXNRWXLALYRDPP-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 86860599) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID86860599
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(CNC(=O)c1cnc2sccn2c1=O)c1nc2ccccc2s1
InChIInChI=1S/C17H14N4O2S2/c1-10(15-20-12-4-2-3-5-13(12)25-15)8-18-14(22)11-9-19-17-21(16(11)23)6-7-24-17/h2-7,9-10H,8H2,1H3,(H,18,22)
InChIKeyAXNRWXLALYRDPP-UHFFFAOYSA-N
XLogP2.90
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18117640
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46455964
3-methyl-2-[[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65220305
5-oxo-N-(1-phenylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3300667
N-[2-(1,3-benzothiazol-2-yl)propyl]-6-chloropyridine-3-carboxamide
CID 86858161
N-(1-naphthalen-1-ylethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51179672
N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97235757
5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46556227
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-methylsulfonylpropanamide
CID 86858216
N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86860575
N-[(4-fluorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4181906
N-(1-amino-4-methylpentan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 119588050

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 86860599) is N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(CNC(=O)c1cnc2sccn2c1=O)c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AXNRWXLALYRDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-10(15-20-12-4-2-3-5-13(12)25-15)8-18-14(22)11-9-19-17-21(16(11)23)6-7-24-17/h2-7,9-10H,8H2,1H3,(H,18,22).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 86860599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).