4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide

C15H17N3O2S — CID 3038685

IUPAC4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-11-13(14(19)17-12-5-3-2-4-6-12)21-15(16-11)18-7-9-20-10-8-18/h2-6H,7-10H2,1H3,(H,17,19)
InChIKeyNRDNQJKBYRHTBO-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.54
Rot. Bonds3

About 4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide

4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 3038685) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID3038685
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-11-13(14(19)17-12-5-3-2-4-6-12)21-15(16-11)18-7-9-20-10-8-18/h2-6H,7-10H2,1H3,(H,17,19)
InChIKeyNRDNQJKBYRHTBO-UHFFFAOYSA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide (CID 3038685) is 4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(N2CCOCC2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is NRDNQJKBYRHTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-13(14(19)17-12-5-3-2-4-6-12)21-15(16-11)18-7-9-20-10-8-18/h2-6H,7-10H2,1H3,(H,17,19).
What are the key properties of 4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3038685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).