(2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide

C17H21N3OS2 — CID 100629837

IUPAC(2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
SMILESCC(C)[C@H]1CN(C(=O)Nc2ncc(-c3ccccc3)s2)CCS1
InChIInChI=1S/C17H21N3OS2/c1-12(2)15-11-20(8-9-22-15)17(21)19-16-18-10-14(23-16)13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,18,19,21)/t15-/m1/s1
InChIKeyINYCIUFDNWJISO-OAHLLOKOSA-N
MW347.51 g/mol
LogP4.42
Rot. Bonds3

About (2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide

(2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide (PubChem CID 100629837) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is (2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
PubChem CID100629837
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC Name(2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
SMILESCC(C)[C@H]1CN(C(=O)Nc2ncc(-c3ccccc3)s2)CCS1
InChIInChI=1S/C17H21N3OS2/c1-12(2)15-11-20(8-9-22-15)17(21)19-16-18-10-14(23-16)13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,18,19,21)/t15-/m1/s1
InChIKeyINYCIUFDNWJISO-OAHLLOKOSA-N
XLogP4.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide?
The IUPAC name of (2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide (CID 100629837) is (2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide is CC(C)[C@H]1CN(C(=O)Nc2ncc(-c3ccccc3)s2)CCS1.
What is the InChIKey of (2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide?
The InChIKey is INYCIUFDNWJISO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-12(2)15-11-20(8-9-22-15)17(21)19-16-18-10-14(23-16)13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,18,19,21)/t15-/m1/s1.
What are the key properties of (2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide?
(2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide has a molecular weight of 347.51 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-phenyl-1,3-thiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide is sourced from PubChem (CID 100629837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).