4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C22H22N4O2S2 — CID 71880545

IUPAC4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1sc(-c2ccccn2)nc1C
InChIInChI=1S/C22H22N4O2S2/c1-14-13-16(22(28)26-9-11-29-12-10-26)6-7-17(14)25-20(27)19-15(2)24-21(30-19)18-5-3-4-8-23-18/h3-8,13H,9-12H2,1-2H3,(H,25,27)
InChIKeyFMHPZYKBCIXXLF-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.26
Rot. Bonds4

About 4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71880545) has the molecular formula C22H22N4O2S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID71880545
Molecular FormulaC22H22N4O2S2
Molecular Weight438.58 g/mol
Exact Mass438.12
IUPAC Name4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1sc(-c2ccccn2)nc1C
InChIInChI=1S/C22H22N4O2S2/c1-14-13-16(22(28)26-9-11-29-12-10-26)6-7-17(14)25-20(27)19-15(2)24-21(30-19)18-5-3-4-8-23-18/h3-8,13H,9-12H2,1-2H3,(H,25,27)
InChIKeyFMHPZYKBCIXXLF-UHFFFAOYSA-N
XLogP4.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 71880545) is 4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1sc(-c2ccccn2)nc1C.
What is the InChIKey of 4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FMHPZYKBCIXXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S2/c1-14-13-16(22(28)26-9-11-29-12-10-26)6-7-17(14)25-20(27)19-15(2)24-21(30-19)18-5-3-4-8-23-18/h3-8,13H,9-12H2,1-2H3,(H,25,27).
What are the key properties of 4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71880545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).