4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

C14H11BrN2OS — CID 30330546

IUPAC4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESBrc1cccc(-c2csc(NCc3ccco3)n2)c1
InChIInChI=1S/C14H11BrN2OS/c15-11-4-1-3-10(7-11)13-9-19-14(17-13)16-8-12-5-2-6-18-12/h1-7,9H,8H2,(H,16,17)
InChIKeyTYNNMDMJRWPTHB-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.78
Rot. Bonds4

About 4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 30330546) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID30330546
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
SMILESBrc1cccc(-c2csc(NCc3ccco3)n2)c1
InChIInChI=1S/C14H11BrN2OS/c15-11-4-1-3-10(7-11)13-9-19-14(17-13)16-8-12-5-2-6-18-12/h1-7,9H,8H2,(H,16,17)
InChIKeyTYNNMDMJRWPTHB-UHFFFAOYSA-N
XLogP4.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine (CID 30330546) is 4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine is Brc1cccc(-c2csc(NCc3ccco3)n2)c1.
What is the InChIKey of 4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is TYNNMDMJRWPTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-11-4-1-3-10(7-11)13-9-19-14(17-13)16-8-12-5-2-6-18-12/h1-7,9H,8H2,(H,16,17).
What are the key properties of 4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine?
4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 335.23 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 30330546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).