N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine

C14H15Cl2N3OS — CID 177062188

IUPACN-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine
SMILESC1CCNC1.O=CNc1csc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H6Cl2N2OS.C4H9N/c11-7-2-1-6(3-8(7)12)10-14-9(4-16-10)13-5-15;1-2-4-5-3-1/h1-5H,(H,13,15);5H,1-4H2
InChIKeyBNZXNUQNEOSUEG-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.05
Rot. Bonds3

About N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine

N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine (PubChem CID 177062188) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine
PubChem CID177062188
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC NameN-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine
SMILESC1CCNC1.O=CNc1csc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H6Cl2N2OS.C4H9N/c11-7-2-1-6(3-8(7)12)10-14-9(4-16-10)13-5-15;1-2-4-5-3-1/h1-5H,(H,13,15);5H,1-4H2
InChIKeyBNZXNUQNEOSUEG-UHFFFAOYSA-N
XLogP4.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine (CID 177062188) is N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine is C1CCNC1.O=CNc1csc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine?
The InChIKey is BNZXNUQNEOSUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS.C4H9N/c11-7-2-1-6(3-8(7)12)10-14-9(4-16-10)13-5-15;1-2-4-5-3-1/h1-5H,(H,13,15);5H,1-4H2.
What are the key properties of N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine?
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine has a molecular weight of 344.27 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]formamide;pyrrolidine is sourced from PubChem (CID 177062188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).