N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine

C16H24N2OS — CID 106887624

IUPACN-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cc2nc(C(C)(C)C)cs2)o1
InChIInChI=1S/C16H24N2OS/c1-5-8-17-10-13-7-6-12(19-13)9-15-18-14(11-20-15)16(2,3)4/h6-7,11,17H,5,8-10H2,1-4H3
InChIKeyRXVNUIUXAOVRCU-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.12
Rot. Bonds6

About N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine

N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 106887624) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID106887624
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Cc2nc(C(C)(C)C)cs2)o1
InChIInChI=1S/C16H24N2OS/c1-5-8-17-10-13-7-6-12(19-13)9-15-18-14(11-20-15)16(2,3)4/h6-7,11,17H,5,8-10H2,1-4H3
InChIKeyRXVNUIUXAOVRCU-UHFFFAOYSA-N
XLogP4.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine (CID 106887624) is N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(Cc2nc(C(C)(C)C)cs2)o1.
What is the InChIKey of N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is RXVNUIUXAOVRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-5-8-17-10-13-7-6-12(19-13)9-15-18-14(11-20-15)16(2,3)4/h6-7,11,17H,5,8-10H2,1-4H3.
What are the key properties of N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106887624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).