1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine

C12H18N2S — CID 62733747

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESc1nc(CNCC2CC3CCC2C3)cs1
InChIInChI=1S/C12H18N2S/c1-2-10-3-9(1)4-11(10)5-13-6-12-7-15-8-14-12/h7-11,13H,1-6H2
InChIKeyNYLSKUHSNFQSGT-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.67
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 62733747) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID62733747
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESc1nc(CNCC2CC3CCC2C3)cs1
InChIInChI=1S/C12H18N2S/c1-2-10-3-9(1)4-11(10)5-13-6-12-7-15-8-14-12/h7-11,13H,1-6H2
InChIKeyNYLSKUHSNFQSGT-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992569
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]methanamine
CID 64799167
1-(2-methylpiperidin-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 106741088
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
1-(2-bicyclo[2.2.1]heptanyl)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]methanamine
CID 78960847
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63002159
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-bromo-5-chlorothiophen-2-yl)methyl]methanamine
CID 102835755
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2,5-difluorophenyl)methyl]methanamine
CID 62733927
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]methanamine
CID 63681622
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
CID 63682074

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 62733747) is 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine is c1nc(CNCC2CC3CCC2C3)cs1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is NYLSKUHSNFQSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-10-3-9(1)4-11(10)5-13-6-12-7-15-8-14-12/h7-11,13H,1-6H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 62733747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).