3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid

C14H20N2O3S — CID 63836470

IUPAC3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ncsc1CN(C)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C14H20N2O3S/c1-9-12(20-8-15-9)7-16(2)13(17)10-4-3-5-11(6-10)14(18)19/h8,10-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyFALKHRJXNHPKBE-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.30
Rot. Bonds4

About 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid

3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63836470) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63836470
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ncsc1CN(C)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C14H20N2O3S/c1-9-12(20-8-15-9)7-16(2)13(17)10-4-3-5-11(6-10)14(18)19/h8,10-11H,3-7H2,1-2H3,(H,18,19)
InChIKeyFALKHRJXNHPKBE-UHFFFAOYSA-N
XLogP2.30
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 63836470) is 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1ncsc1CN(C)C(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FALKHRJXNHPKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-12(20-8-15-9)7-16(2)13(17)10-4-3-5-11(6-10)14(18)19/h8,10-11H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid?
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63836470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).