potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate

C16H16KN3O4S — CID 155969317

IUPACpotassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1C(NC(=O)Nc1nc(C2CC2)cs1)C(=O)[O-].[K+]
InChIInChI=1S/C16H17N3O4S.K/c1-23-12-5-3-2-4-10(12)13(14(20)21)18-15(22)19-16-17-11(8-24-16)9-6-7-9;/h2-5,8-9,13H,6-7H2,1H3,(H,20,21)(H2,17,18,19,22);/q;+1/p-1
InChIKeyIUSZLTBUUYYREA-UHFFFAOYSA-M
MW385.49 g/mol
LogP-1.35
Rot. Bonds6

About potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate

potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate (PubChem CID 155969317) has the molecular formula C16H16KN3O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Namepotassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate
PubChem CID155969317
Molecular FormulaC16H16KN3O4S
Molecular Weight385.49 g/mol
Exact Mass385.05
IUPAC Namepotassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1C(NC(=O)Nc1nc(C2CC2)cs1)C(=O)[O-].[K+]
InChIInChI=1S/C16H17N3O4S.K/c1-23-12-5-3-2-4-10(12)13(14(20)21)18-15(22)19-16-17-11(8-24-16)9-6-7-9;/h2-5,8-9,13H,6-7H2,1H3,(H,20,21)(H2,17,18,19,22);/q;+1/p-1
InChIKeyIUSZLTBUUYYREA-UHFFFAOYSA-M
XLogP-1.35
TPSA103.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate?
The IUPAC name of potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate (CID 155969317) is potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate.
What is the SMILES notation for potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate?
The canonical SMILES for potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate is COc1ccccc1C(NC(=O)Nc1nc(C2CC2)cs1)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate?
The InChIKey is IUSZLTBUUYYREA-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17N3O4S.K/c1-23-12-5-3-2-4-10(12)13(14(20)21)18-15(22)19-16-17-11(8-24-16)9-6-7-9;/h2-5,8-9,13H,6-7H2,1H3,(H,20,21)(H2,17,18,19,22);/q;+1/p-1.
What are the key properties of potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate?
potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate has a molecular weight of 385.49 g/mol, XLogP of -1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoylamino]-2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 155969317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).