2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid

C16H24N2O3S — CID 120532982

IUPAC2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid
SMILESCC(C)c1ncc(C(=O)NC2CCCCCCC2C(=O)O)s1
InChIInChI=1S/C16H24N2O3S/c1-10(2)15-17-9-13(22-15)14(19)18-12-8-6-4-3-5-7-11(12)16(20)21/h9-12H,3-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIQBOHZJBSSHEGK-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.42
Rot. Bonds4

About 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid

2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid (PubChem CID 120532982) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid
PubChem CID120532982
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid
SMILESCC(C)c1ncc(C(=O)NC2CCCCCCC2C(=O)O)s1
InChIInChI=1S/C16H24N2O3S/c1-10(2)15-17-9-13(22-15)14(19)18-12-8-6-4-3-5-7-11(12)16(20)21/h9-12H,3-8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyIQBOHZJBSSHEGK-UHFFFAOYSA-N
XLogP3.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-methyl-1-(2-propan-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116782
2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 120521194
cis-(1R,2S)-2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97320175
2-[(5-bromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64814788
1-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515087
3-methyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 120513288
N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
2-[[6-(methylcarbamoyl)pyridine-3-carbonyl]amino]cyclooctane-1-carboxylic acid
CID 120532910
2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813055
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid?
The IUPAC name of 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid (CID 120532982) is 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid is CC(C)c1ncc(C(=O)NC2CCCCCCC2C(=O)O)s1.
What is the InChIKey of 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid?
The InChIKey is IQBOHZJBSSHEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-10(2)15-17-9-13(22-15)14(19)18-12-8-6-4-3-5-7-11(12)16(20)21/h9-12H,3-8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid?
2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid has a molecular weight of 324.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 120532982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).