2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide

C15H18N4O2S — CID 75435971

IUPAC2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C15H18N4O2S/c1-16-15-17-10-13(22-15)14(20)18-11-2-4-12(5-3-11)19-6-8-21-9-7-19/h2-5,10H,6-9H2,1H3,(H,16,17)(H,18,20)
InChIKeyNUGCYMNCRFKADU-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.27
Rot. Bonds4

About 2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide

2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 75435971) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID75435971
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCNc1ncc(C(=O)Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C15H18N4O2S/c1-16-15-17-10-13(22-15)14(20)18-11-2-4-12(5-3-11)19-6-8-21-9-7-19/h2-5,10H,6-9H2,1H3,(H,16,17)(H,18,20)
InChIKeyNUGCYMNCRFKADU-UHFFFAOYSA-N
XLogP2.27
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117084517
2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571818
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 117085734
N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 155288065
2-(methylamino)-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]-1,3-thiazole-5-carboxamide
CID 97329336
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
CID 1495338
(5S)-5-methyl-N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2526469
2-(4-ethylphenyl)-4-methyl-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 7594221
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide (CID 75435971) is 2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide is CNc1ncc(C(=O)Nc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of 2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NUGCYMNCRFKADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-16-15-17-10-13(22-15)14(20)18-11-2-4-12(5-3-11)19-6-8-21-9-7-19/h2-5,10H,6-9H2,1H3,(H,16,17)(H,18,20).
What are the key properties of 2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide?
2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75435971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).