(1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C16H26N2S — CID 115400183

IUPAC(1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1csc(CCNC2C(C)(C)[C@H]3CC[C@]2(C)C3)n1
InChIInChI=1S/C16H26N2S/c1-11-10-19-13(18-11)6-8-17-14-15(2,3)12-5-7-16(14,4)9-12/h10,12,14,17H,5-9H2,1-4H3/t12-,14?,16+/m0/s1
InChIKeyVUZKSBNHSXLAPK-RAAOQPIXSA-N
MW278.46 g/mol
LogP3.80
Rot. Bonds4

About (1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

(1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 115400183) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID115400183
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1csc(CCNC2C(C)(C)[C@H]3CC[C@]2(C)C3)n1
InChIInChI=1S/C16H26N2S/c1-11-10-19-13(18-11)6-8-17-14-15(2,3)12-5-7-16(14,4)9-12/h10,12,14,17H,5-9H2,1-4H3/t12-,14?,16+/m0/s1
InChIKeyVUZKSBNHSXLAPK-RAAOQPIXSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 115400183) is (1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cc1csc(CCNC2C(C)(C)[C@H]3CC[C@]2(C)C3)n1.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is VUZKSBNHSXLAPK-RAAOQPIXSA-N. The full InChI is InChI=1S/C16H26N2S/c1-11-10-19-13(18-11)6-8-17-14-15(2,3)12-5-7-16(14,4)9-12/h10,12,14,17H,5-9H2,1-4H3/t12-,14?,16+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 278.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,3,3-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115400183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).