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

C15H18N4O2S — CID 29413215

IUPAC4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCN1CCc2nc(NC(=O)c3cc(C(C)=O)c[nH]3)sc2C1
InChIInChI=1S/C15H18N4O2S/c1-3-19-5-4-11-13(8-19)22-15(17-11)18-14(21)12-6-10(7-16-12)9(2)20/h6-7,16H,3-5,8H2,1-2H3,(H,17,18,21)
InChIKeyLPACGHBIFMRBQJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.30
Rot. Bonds4

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

4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 29413215) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID29413215
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCN1CCc2nc(NC(=O)c3cc(C(C)=O)c[nH]3)sc2C1
InChIInChI=1S/C15H18N4O2S/c1-3-19-5-4-11-13(8-19)22-15(17-11)18-14(21)12-6-10(7-16-12)9(2)20/h6-7,16H,3-5,8H2,1-2H3,(H,17,18,21)
InChIKeyLPACGHBIFMRBQJ-UHFFFAOYSA-N
XLogP2.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-ethylsulfonylbenzamide
CID 26841185
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(2-methylpropyl)benzamide
CID 86977214
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 8550347
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-propoxybenzamide
CID 2536195
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 86976942
4-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1-methylpyrrole-2-carboxamide
CID 29413278
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 29412625
4-(difluoromethylsulfonyl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 29412552
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46430927
2-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 119946095
2-bromo-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827061
5-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)naphthalene-1-carboxamide
CID 167840338

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide (CID 29413215) is 4-acetyl-N-(5-ethyl-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-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide is CCN1CCc2nc(NC(=O)c3cc(C(C)=O)c[nH]3)sc2C1.
What is the InChIKey of 4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is LPACGHBIFMRBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-19-5-4-11-13(8-19)22-15(17-11)18-14(21)12-6-10(7-16-12)9(2)20/h6-7,16H,3-5,8H2,1-2H3,(H,17,18,21).
What are the key properties of 4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 29413215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).