N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide

C16H12Cl2N4OS — CID 66801198

IUPACN-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESNc1cc(Cl)c(-c2nc3ccnc(NC(=O)C4CC4)c3s2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N4OS/c17-9-5-8(19)6-10(18)12(9)16-21-11-3-4-20-14(13(11)24-16)22-15(23)7-1-2-7/h3-7H,1-2,19H2,(H,20,22,23)
InChIKeyBDISCFWCWDYWHV-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.60
Rot. Bonds3

About N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide

N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 66801198) has the molecular formula C16H12Cl2N4OS and a molecular weight of 379.27 g/mol. Its IUPAC name is N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID66801198
Molecular FormulaC16H12Cl2N4OS
Molecular Weight379.27 g/mol
Exact Mass378.01
IUPAC NameN-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESNc1cc(Cl)c(-c2nc3ccnc(NC(=O)C4CC4)c3s2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N4OS/c17-9-5-8(19)6-10(18)12(9)16-21-11-3-4-20-14(13(11)24-16)22-15(23)7-1-2-7/h3-7H,1-2,19H2,(H,20,22,23)
InChIKeyBDISCFWCWDYWHV-UHFFFAOYSA-N
XLogP4.60
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide (CID 66801198) is N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide is Nc1cc(Cl)c(-c2nc3ccnc(NC(=O)C4CC4)c3s2)c(Cl)c1.
What is the InChIKey of N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is BDISCFWCWDYWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4OS/c17-9-5-8(19)6-10(18)12(9)16-21-11-3-4-20-14(13(11)24-16)22-15(23)7-1-2-7/h3-7H,1-2,19H2,(H,20,22,23).
What are the key properties of N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 379.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 66801198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).