N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide

C17H15N5O2S2 — CID 56765051

IUPACN-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1ccc3nsnc3c1)CC2)C1CC1
InChIInChI=1S/C17H15N5O2S2/c23-15(9-1-2-9)19-17-18-12-5-6-22(8-14(12)25-17)16(24)10-3-4-11-13(7-10)21-26-20-11/h3-4,7,9H,1-2,5-6,8H2,(H,18,19,23)
InChIKeyDRYNLYLTKBKDDS-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.69
Rot. Bonds3

About N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 56765051) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID56765051
Molecular FormulaC17H15N5O2S2
Molecular Weight385.47 g/mol
Exact Mass385.07
IUPAC NameN-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)c1ccc3nsnc3c1)CC2)C1CC1
InChIInChI=1S/C17H15N5O2S2/c23-15(9-1-2-9)19-17-18-12-5-6-22(8-14(12)25-17)16(24)10-3-4-11-13(7-10)21-26-20-11/h3-4,7,9H,1-2,5-6,8H2,(H,18,19,23)
InChIKeyDRYNLYLTKBKDDS-UHFFFAOYSA-N
XLogP2.69
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (CID 56765051) is N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2c(s1)CN(C(=O)c1ccc3nsnc3c1)CC2)C1CC1.
What is the InChIKey of N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is DRYNLYLTKBKDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c23-15(9-1-2-9)19-17-18-12-5-6-22(8-14(12)25-17)16(24)10-3-4-11-13(7-10)21-26-20-11/h3-4,7,9H,1-2,5-6,8H2,(H,18,19,23).
What are the key properties of N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 56765051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).