3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid

C15H22N2O2S — CID 79402308

IUPAC3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC2C3(C)CCC(C3)C2(C)C)c1C(=O)O
InChIInChI=1S/C15H22N2O2S/c1-8-10(12(18)19)11(20-17-8)16-13-14(2,3)9-5-6-15(13,4)7-9/h9,13,16H,5-7H2,1-4H3,(H,18,19)
InChIKeyYNGVALZPSBDHSO-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.78
Rot. Bonds3

About 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 79402308) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID79402308
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC2C3(C)CCC(C3)C2(C)C)c1C(=O)O
InChIInChI=1S/C15H22N2O2S/c1-8-10(12(18)19)11(20-17-8)16-13-14(2,3)9-5-6-15(13,4)7-9/h9,13,16H,5-7H2,1-4H3,(H,18,19)
InChIKeyYNGVALZPSBDHSO-UHFFFAOYSA-N
XLogP3.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid with MolForge

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Related Compounds

1-[3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79364184
5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-4-carboxylic acid
CID 64629094
3-methyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]-1,2-thiazole-4-carboxylic acid
CID 103968589
4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
CID 103359673
5-[(3,4-dimethylcyclohexyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402940
methyl 4-methyl-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,3-thiazole-5-carboxylate
CID 80569213
1-[5-[(2,2-dimethylcyclopropyl)amino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363429
N-[4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]phenyl]acetamide
CID 115400241
3-methyl-5-[(2-oxopiperidin-3-yl)amino]-1,2-thiazole-4-carboxylic acid
CID 79401905
2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697191
5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402488
1-[3-methyl-5-[(4-methylcyclohexyl)amino]-1,2-thiazol-4-yl]ethanone
CID 79375328

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid (CID 79402308) is 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC2C3(C)CCC(C3)C2(C)C)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is YNGVALZPSBDHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-8-10(12(18)19)11(20-17-8)16-13-14(2,3)9-5-6-15(13,4)7-9/h9,13,16H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 294.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).