2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

C16H26N2S — CID 112644073

IUPAC2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(Cc2cncs2)CC2CCC1C2
InChIInChI=1S/C16H26N2S/c1-15(2,3)18-10-16(8-14-9-17-11-19-14)7-12-4-5-13(16)6-12/h9,11-13,18H,4-8,10H2,1-3H3
InChIKeyIVSPDTOVZDUWIU-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.88
Rot. Bonds4

About 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine

2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (PubChem CID 112644073) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
PubChem CID112644073
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(Cc2cncs2)CC2CCC1C2
InChIInChI=1S/C16H26N2S/c1-15(2,3)18-10-16(8-14-9-17-11-19-14)7-12-4-5-13(16)6-12/h9,11-13,18H,4-8,10H2,1-3H3
InChIKeyIVSPDTOVZDUWIU-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine (CID 112644073) is 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is CC(C)(C)NCC1(Cc2cncs2)CC2CCC1C2.
What is the InChIKey of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
The InChIKey is IVSPDTOVZDUWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-15(2,3)18-10-16(8-14-9-17-11-19-14)7-12-4-5-13(16)6-12/h9,11-13,18H,4-8,10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine?
2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine has a molecular weight of 278.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1,3-thiazol-5-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine is sourced from PubChem (CID 112644073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).