N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine

C15H19BrN2OS — CID 53273361

IUPACN-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine
SMILESBrc1ccc(-c2cnc(CNCC3CCCCC3)s2)o1
InChIInChI=1S/C15H19BrN2OS/c16-14-7-6-12(19-14)13-9-18-15(20-13)10-17-8-11-4-2-1-3-5-11/h6-7,9,11,17H,1-5,8,10H2
InChIKeyKGTLLWOJEMRATF-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.84
Rot. Bonds5

About N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine

N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine (PubChem CID 53273361) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine
PubChem CID53273361
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC NameN-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine
SMILESBrc1ccc(-c2cnc(CNCC3CCCCC3)s2)o1
InChIInChI=1S/C15H19BrN2OS/c16-14-7-6-12(19-14)13-9-18-15(20-13)10-17-8-11-4-2-1-3-5-11/h6-7,9,11,17H,1-5,8,10H2
InChIKeyKGTLLWOJEMRATF-UHFFFAOYSA-N
XLogP4.84
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine (CID 53273361) is N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine is Brc1ccc(-c2cnc(CNCC3CCCCC3)s2)o1.
What is the InChIKey of N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine?
The InChIKey is KGTLLWOJEMRATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c16-14-7-6-12(19-14)13-9-18-15(20-13)10-17-8-11-4-2-1-3-5-11/h6-7,9,11,17H,1-5,8,10H2.
What are the key properties of N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine?
N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine has a molecular weight of 355.30 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 53273361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).