N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide

C14H18N4OS — CID 71688668

IUPACN-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1nnsc1-c1ccccc1
InChIInChI=1S/C14H18N4OS/c1-18(2)10-6-9-15-14(19)12-13(20-17-16-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,19)
InChIKeyOKFFSCVVMQJFED-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.89
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide

N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide (PubChem CID 71688668) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide
PubChem CID71688668
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide
SMILESCN(C)CCCNC(=O)c1nnsc1-c1ccccc1
InChIInChI=1S/C14H18N4OS/c1-18(2)10-6-9-15-14(19)12-13(20-17-16-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,19)
InChIKeyOKFFSCVVMQJFED-UHFFFAOYSA-N
XLogP1.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-5-(4-methylphenyl)thiadiazole-4-carboxamide
CID 71688702
5-(4-methylphenyl)-N-(2-phenylethyl)thiadiazole-4-carboxamide
CID 56731044
N-benzyl-5-phenylthiadiazole-4-carboxamide
CID 71688687
N-(3-imidazol-1-ylpropyl)-5-phenylthiadiazole-4-carboxamide
CID 71688676
5-(4-chlorophenyl)-N-(3-ethoxypropyl)thiadiazole-4-carboxamide
CID 71689865
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391
N-[3-(dimethylamino)propyl]-5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393382
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide (CID 71688668) is N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide is CN(C)CCCNC(=O)c1nnsc1-c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide?
The InChIKey is OKFFSCVVMQJFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-18(2)10-6-9-15-14(19)12-13(20-17-16-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,15,19).
What are the key properties of N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide?
N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 71688668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).