4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide

C11H18N4O2S — CID 7576732

IUPAC4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H18N4O2S/c1-9-10(18-14-13-9)11(16)12-3-2-4-15-5-7-17-8-6-15/h2-8H2,1H3,(H,12,16)
InChIKeyCIIFARQTNCXRBW-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.30
Rot. Bonds5

About 4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide

4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide (PubChem CID 7576732) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide
PubChem CID7576732
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C11H18N4O2S/c1-9-10(18-14-13-9)11(16)12-3-2-4-15-5-7-17-8-6-15/h2-8H2,1H3,(H,12,16)
InChIKeyCIIFARQTNCXRBW-UHFFFAOYSA-N
XLogP0.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2,4,5-trimethyl-N-(3-morpholin-4-ylpropyl)furan-3-carboxamide
CID 47136432
4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
5-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)thiadiazole-4-carboxamide
CID 71688703
4-methyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]thiadiazole-5-carboxamide
CID 39730184
4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
CID 43045174
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387446
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
3-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3579902
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide (CID 7576732) is 4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide?
The InChIKey is CIIFARQTNCXRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-9-10(18-14-13-9)11(16)12-3-2-4-15-5-7-17-8-6-15/h2-8H2,1H3,(H,12,16).
What are the key properties of 4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide?
4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 7576732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).