N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol

C21H25N3O2S — CID 165089748

IUPACN-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol
SMILESCCCCc1cccc(-c2cncc3nc(NC(=O)C4CC4)sc23)c1.CO
InChIInChI=1S/C20H21N3OS.CH4O/c1-2-3-5-13-6-4-7-15(10-13)16-11-21-12-17-18(16)25-20(22-17)23-19(24)14-8-9-14;1-2/h4,6-7,10-12,14H,2-3,5,8-9H2,1H3,(H,22,23,24);2H,1H3
InChIKeyWMONKEMCNDALDJ-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.66
Rot. Bonds6

About N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol

N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol (PubChem CID 165089748) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol.

Molecular Properties

Compound NameN-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol
PubChem CID165089748
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol
SMILESCCCCc1cccc(-c2cncc3nc(NC(=O)C4CC4)sc23)c1.CO
InChIInChI=1S/C20H21N3OS.CH4O/c1-2-3-5-13-6-4-7-15(10-13)16-11-21-12-17-18(16)25-20(22-17)23-19(24)14-8-9-14;1-2/h4,6-7,10-12,14H,2-3,5,8-9H2,1H3,(H,22,23,24);2H,1H3
InChIKeyWMONKEMCNDALDJ-UHFFFAOYSA-N
XLogP4.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol?
The IUPAC name of N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol (CID 165089748) is N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol.
What is the SMILES notation for N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol?
The canonical SMILES for N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol is CCCCc1cccc(-c2cncc3nc(NC(=O)C4CC4)sc23)c1.CO.
What is the InChIKey of N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol?
The InChIKey is WMONKEMCNDALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS.CH4O/c1-2-3-5-13-6-4-7-15(10-13)16-11-21-12-17-18(16)25-20(22-17)23-19(24)14-8-9-14;1-2/h4,6-7,10-12,14H,2-3,5,8-9H2,1H3,(H,22,23,24);2H,1H3.
What are the key properties of N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol?
N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol has a molecular weight of 383.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3-butylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropanecarboxamide;methanol is sourced from PubChem (CID 165089748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).