N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H12N4O2S2 — CID 86853884

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cnc3sccn3c2=O)cs1
InChIInChI=1S/C13H12N4O2S2/c1-8-15-9(7-21-8)6-16(2)11(18)10-5-14-13-17(12(10)19)3-4-20-13/h3-5,7H,6H2,1-2H3
InChIKeyHHAIEIOWBQVUOY-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.79
Rot. Bonds3

About N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 86853884) has the molecular formula C13H12N4O2S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID86853884
Molecular FormulaC13H12N4O2S2
Molecular Weight320.40 g/mol
Exact Mass320.04
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cnc3sccn3c2=O)cs1
InChIInChI=1S/C13H12N4O2S2/c1-8-15-9(7-21-8)6-16(2)11(18)10-5-14-13-17(12(10)19)3-4-20-13/h3-5,7H,6H2,1-2H3
InChIKeyHHAIEIOWBQVUOY-UHFFFAOYSA-N
XLogP1.79
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51255229
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
N-benzyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51277736
N-methyl-N-(3-methylbutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51078962
N-methyl-N-[(2S)-3-methylbutan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94173568
2,5-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114918306
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
3-[ethyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 61007953
2-[2-methylpropyl-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 63069932
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 86852399
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 65309481

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 86853884) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1nc(CN(C)C(=O)c2cnc3sccn3c2=O)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HHAIEIOWBQVUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S2/c1-8-15-9(7-21-8)6-16(2)11(18)10-5-14-13-17(12(10)19)3-4-20-13/h3-5,7H,6H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 86853884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).