3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide

C15H21N3OS — CID 118772746

IUPAC3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide
SMILESCC1(C)[C@H]2CC=C(CCNC(=O)c3csnc3N)[C@@H]1C2
InChIInChI=1S/C15H21N3OS/c1-15(2)10-4-3-9(12(15)7-10)5-6-17-14(19)11-8-20-18-13(11)16/h3,8,10,12H,4-7H2,1-2H3,(H2,16,18)(H,17,19)/t10-,12-/m0/s1
InChIKeyFYZNTJKCOQXZIF-JQWIXIFHSA-N
MW291.42 g/mol
LogP2.84
Rot. Bonds4

About 3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide

3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide (PubChem CID 118772746) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide
PubChem CID118772746
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide
SMILESCC1(C)[C@H]2CC=C(CCNC(=O)c3csnc3N)[C@@H]1C2
InChIInChI=1S/C15H21N3OS/c1-15(2)10-4-3-9(12(15)7-10)5-6-17-14(19)11-8-20-18-13(11)16/h3,8,10,12H,4-7H2,1-2H3,(H2,16,18)(H,17,19)/t10-,12-/m0/s1
InChIKeyFYZNTJKCOQXZIF-JQWIXIFHSA-N
XLogP2.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]adamantane-1-carboxamide
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(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-trimethylazanium
CID 14634830
1-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
CID 118755195
3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91787083
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CID 63238603
2-amino-3-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60914586
2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238520
N-cyclohexyl-4-[2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-(4-fluorobenzoyl)amino]ethyl]piperazine-1-carboxamide
CID 42725057
N-[[(2S)-1-(4-amino-1,2-thiazole-3-carbonyl)-4,4-dimethylpyrrolidin-2-yl]methyl]-2H-triazole-4-carboxamide
CID 167857404
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide (CID 118772746) is 3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide is CC1(C)[C@H]2CC=C(CCNC(=O)c3csnc3N)[C@@H]1C2.
What is the InChIKey of 3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide?
The InChIKey is FYZNTJKCOQXZIF-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2)10-4-3-9(12(15)7-10)5-6-17-14(19)11-8-20-18-13(11)16/h3,8,10,12H,4-7H2,1-2H3,(H2,16,18)(H,17,19)/t10-,12-/m0/s1.
What are the key properties of 3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide?
3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118772746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).