N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C14H14N4O2S2 — CID 16933611

IUPACN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2c(C)nc3scc(C)n3c2=O)s1
InChIInChI=1S/C14H14N4O2S2/c1-6-5-21-14-16-7(2)10(13(20)18(6)14)17-12(19)11-8(3)15-9(4)22-11/h5H,1-4H3,(H,17,19)
InChIKeyVQMXBLXEUQINKX-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.70
Rot. Bonds2

About N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 16933611) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID16933611
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC NameN-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2c(C)nc3scc(C)n3c2=O)s1
InChIInChI=1S/C14H14N4O2S2/c1-6-5-21-14-16-7(2)10(13(20)18(6)14)17-12(19)11-8(3)15-9(4)22-11/h5H,1-4H3,(H,17,19)
InChIKeyVQMXBLXEUQINKX-UHFFFAOYSA-N
XLogP2.70
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 16933611) is N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2c(C)nc3scc(C)n3c2=O)s1.
What is the InChIKey of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is VQMXBLXEUQINKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-6-5-21-14-16-7(2)10(13(20)18(6)14)17-12(19)11-8(3)15-9(4)22-11/h5H,1-4H3,(H,17,19).
What are the key properties of N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 334.43 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16933611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).