2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide

C14H16N4O2S — CID 67450045

IUPAC2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C14H16N4O2S/c15-17-13(19)12-9-21-14(16-12)10-1-3-11(4-2-10)18-5-7-20-8-6-18/h1-4,9H,5-8,15H2,(H,17,19)
InChIKeyZSHBGXXOLJOUTE-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.25
Rot. Bonds3

About 2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide

2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 67450045) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide
PubChem CID67450045
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1csc(-c2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C14H16N4O2S/c15-17-13(19)12-9-21-14(16-12)10-1-3-11(4-2-10)18-5-7-20-8-6-18/h1-4,9H,5-8,15H2,(H,17,19)
InChIKeyZSHBGXXOLJOUTE-UHFFFAOYSA-N
XLogP1.25
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145839
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
N-(2-ethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145800
N-butyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119268
morpholin-4-yl-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 53145852
2-(6-morpholin-4-yl-3-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53145860
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(2R)-4-phenylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95089020
N-(2-formyl-5-morpholin-4-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 166778803
N-(3,4-dimethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145815
N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119274
2-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 117087877

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide (CID 67450045) is 2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide is NNC(=O)c1csc(-c2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is ZSHBGXXOLJOUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c15-17-13(19)12-9-21-14(16-12)10-1-3-11(4-2-10)18-5-7-20-8-6-18/h1-4,9H,5-8,15H2,(H,17,19).
What are the key properties of 2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide?
2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 304.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 67450045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).