2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C14H21N3O3S — CID 66373521

IUPAC2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)NC1CCCCCC1)c1nc(C(=O)O)cs1
InChIInChI=1S/C14H21N3O3S/c1-9(12-17-11(8-21-12)13(18)19)15-14(20)16-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyVLRSTBCYIWQZBX-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.92
Rot. Bonds4

About 2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66373521) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66373521
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)NC1CCCCCC1)c1nc(C(=O)O)cs1
InChIInChI=1S/C14H21N3O3S/c1-9(12-17-11(8-21-12)13(18)19)15-14(20)16-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyVLRSTBCYIWQZBX-UHFFFAOYSA-N
XLogP2.92
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-methylcyclohexyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375442
2-[1-[(1-methylpiperidin-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374686
2-[1-(cyclohex-3-en-1-ylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372633
2-[1-[(6-oxopiperidin-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374350
2-[1-(2-bicyclo[2.2.1]heptanylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372819
2-[1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 106257771
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154
1-cyclohexyl-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 115616432
2-[1-(2-cyclopropylethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372441
2-[1-[3-(cyclopropylamino)propylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374308
2-[1-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379039
2-[1-[(2-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373887

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66373521) is 2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)NC1CCCCCC1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VLRSTBCYIWQZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9(12-17-11(8-21-12)13(18)19)15-14(20)16-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66373521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).