2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid

C14H20N2O3S — CID 120976019

IUPAC2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1nc(C)c(C(C)N(C)C(=O)C2CCC2C(=O)O)s1
InChIInChI=1S/C14H20N2O3S/c1-7-12(20-9(3)15-7)8(2)16(4)13(17)10-5-6-11(10)14(18)19/h8,10-11H,5-6H2,1-4H3,(H,18,19)
InChIKeyOIKVZYGONDCMSY-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.39
Rot. Bonds4

About 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976019) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976019
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1nc(C)c(C(C)N(C)C(=O)C2CCC2C(=O)O)s1
InChIInChI=1S/C14H20N2O3S/c1-7-12(20-9(3)15-7)8(2)16(4)13(17)10-5-6-11(10)14(18)19/h8,10-11H,5-6H2,1-4H3,(H,18,19)
InChIKeyOIKVZYGONDCMSY-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120976019) is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid is Cc1nc(C)c(C(C)N(C)C(=O)C2CCC2C(=O)O)s1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is OIKVZYGONDCMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-7-12(20-9(3)15-7)8(2)16(4)13(17)10-5-6-11(10)14(18)19/h8,10-11H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).