cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate

C19H22N2O3S2 — CID 121467169

IUPACcyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate
SMILESO=C(OC1CCCCC1)C1=CCSC1NC(=O)C1Nc2ccccc2S1
InChIInChI=1S/C19H22N2O3S2/c22-16(18-20-14-8-4-5-9-15(14)26-18)21-17-13(10-11-25-17)19(23)24-12-6-2-1-3-7-12/h4-5,8-10,12,17-18,20H,1-3,6-7,11H2,(H,21,22)
InChIKeyXURVMTCTHIEIGP-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.52
Rot. Bonds4

About cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate

cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate (PubChem CID 121467169) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate
PubChem CID121467169
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Namecyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate
SMILESO=C(OC1CCCCC1)C1=CCSC1NC(=O)C1Nc2ccccc2S1
InChIInChI=1S/C19H22N2O3S2/c22-16(18-20-14-8-4-5-9-15(14)26-18)21-17-13(10-11-25-17)19(23)24-12-6-2-1-3-7-12/h4-5,8-10,12,17-18,20H,1-3,6-7,11H2,(H,21,22)
InChIKeyXURVMTCTHIEIGP-UHFFFAOYSA-N
XLogP3.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate?
The IUPAC name of cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate (CID 121467169) is cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate.
What is the SMILES notation for cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate?
The canonical SMILES for cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate is O=C(OC1CCCCC1)C1=CCSC1NC(=O)C1Nc2ccccc2S1.
What is the InChIKey of cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate?
The InChIKey is XURVMTCTHIEIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c22-16(18-20-14-8-4-5-9-15(14)26-18)21-17-13(10-11-25-17)19(23)24-12-6-2-1-3-7-12/h4-5,8-10,12,17-18,20H,1-3,6-7,11H2,(H,21,22).
What are the key properties of cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate?
cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate has a molecular weight of 390.53 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(2,3-dihydro-1,3-benzothiazole-2-carbonylamino)-2,5-dihydrothiophene-3-carboxylate is sourced from PubChem (CID 121467169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).