N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C16H24N2S — CID 8024913

IUPACN-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C16H24N2S/c1-11-18-15(9-19-11)8-17-10-16-5-12-2-13(6-16)4-14(3-12)7-16/h9,12-14,17H,2-8,10H2,1H3
InChIKeyZWAQXTVLGMNDEC-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.76
Rot. Bonds4

About N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine

N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 8024913) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID8024913
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CNCC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C16H24N2S/c1-11-18-15(9-19-11)8-17-10-16-5-12-2-13(6-16)4-14(3-12)7-16/h9,12-14,17H,2-8,10H2,1H3
InChIKeyZWAQXTVLGMNDEC-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 8024913) is N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CNCC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is ZWAQXTVLGMNDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-11-18-15(9-19-11)8-17-10-16-5-12-2-13(6-16)4-14(3-12)7-16/h9,12-14,17H,2-8,10H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 276.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 8024913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).