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

C16H22N2OS — CID 106887629

IUPACN-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1csc(Cc2ccoc2CNC2CC2)n1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)14-10-20-15(18-14)8-11-6-7-19-13(11)9-17-12-4-5-12/h6-7,10,12,17H,4-5,8-9H2,1-3H3
InChIKeyFUSIRBKBOLLRRT-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.88
Rot. Bonds5

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

N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 106887629) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID106887629
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)(C)c1csc(Cc2ccoc2CNC2CC2)n1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)14-10-20-15(18-14)8-11-6-7-19-13(11)9-17-12-4-5-12/h6-7,10,12,17H,4-5,8-9H2,1-3H3
InChIKeyFUSIRBKBOLLRRT-UHFFFAOYSA-N
XLogP3.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine (CID 106887629) is N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine is CC(C)(C)c1csc(Cc2ccoc2CNC2CC2)n1.
What is the InChIKey of N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is FUSIRBKBOLLRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2,3)14-10-20-15(18-14)8-11-6-7-19-13(11)9-17-12-4-5-12/h6-7,10,12,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine?
N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 290.43 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106887629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).