4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide

C16H20N4O2S — CID 31245847

IUPAC4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2nc3c(s2)CN(C)CC3)c1C
InChIInChI=1S/C16H20N4O2S/c1-8-13(10(3)21)9(2)17-14(8)15(22)19-16-18-11-5-6-20(4)7-12(11)23-16/h17H,5-7H2,1-4H3,(H,18,19,22)
InChIKeyXEQOTBWJGXGTHG-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.53
Rot. Bonds3

About 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 31245847) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID31245847
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2nc3c(s2)CN(C)CC3)c1C
InChIInChI=1S/C16H20N4O2S/c1-8-13(10(3)21)9(2)17-14(8)15(22)19-16-18-11-5-6-20(4)7-12(11)23-16/h17H,5-7H2,1-4H3,(H,18,19,22)
InChIKeyXEQOTBWJGXGTHG-UHFFFAOYSA-N
XLogP2.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

4,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide
CID 84560679
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazine-2-carboxamide
CID 46663904
2-amino-2-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110460913
2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 39177210
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 16848015
4-acetyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-3-propyl-1H-pyrrole-2-carboxamide
CID 75416080
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142
3-methoxy-1-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-carboxamide
CID 167972155
5-(cyclopropylamino)-3-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-thiazole-4-carboxamide
CID 154736106
3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110480434
4-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)naphthalene-1-carboxamide
CID 167914935
1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 47433636

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide (CID 31245847) is 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2nc3c(s2)CN(C)CC3)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is XEQOTBWJGXGTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-8-13(10(3)21)9(2)17-14(8)15(22)19-16-18-11-5-6-20(4)7-12(11)23-16/h17H,5-7H2,1-4H3,(H,18,19,22).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31245847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).