N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine

C18H22N2S2 — CID 123443910

IUPACN-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine
SMILESCc1ncc(-c2ccc(CNC34CC5CC(CC3C5)C4)s2)s1
InChIInChI=1S/C18H22N2S2/c1-11-19-10-17(21-11)16-3-2-15(22-16)9-20-18-7-12-4-13(8-18)6-14(18)5-12/h2-3,10,12-14,20H,4-9H2,1H3
InChIKeyQREWWFYTEGVLQA-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.85
Rot. Bonds4

About N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine

N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine (PubChem CID 123443910) has the molecular formula C18H22N2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine
PubChem CID123443910
Molecular FormulaC18H22N2S2
Molecular Weight330.52 g/mol
Exact Mass330.12
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine
SMILESCc1ncc(-c2ccc(CNC34CC5CC(CC3C5)C4)s2)s1
InChIInChI=1S/C18H22N2S2/c1-11-19-10-17(21-11)16-3-2-15(22-16)9-20-18-7-12-4-13(8-18)6-14(18)5-12/h2-3,10,12-14,20H,4-9H2,1H3
InChIKeyQREWWFYTEGVLQA-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine (CID 123443910) is N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine is Cc1ncc(-c2ccc(CNC34CC5CC(CC3C5)C4)s2)s1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
The InChIKey is QREWWFYTEGVLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S2/c1-11-19-10-17(21-11)16-3-2-15(22-16)9-20-18-7-12-4-13(8-18)6-14(18)5-12/h2-3,10,12-14,20H,4-9H2,1H3.
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine has a molecular weight of 330.52 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-5-yl)thiophen-2-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine is sourced from PubChem (CID 123443910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).