N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide

C17H20N6O2S — CID 134706002

IUPACN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)Nc2nnc(CCN(C)C)s2)cn1
InChIInChI=1S/C17H20N6O2S/c1-22(2)9-8-15-20-21-17(26-15)19-16(24)12-10-18-23(11-12)13-6-4-5-7-14(13)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,19,21,24)
InChIKeyUDSCXFZBDOBLKZ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.09
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide

N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 134706002) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID134706002
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC NameN-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)Nc2nnc(CCN(C)C)s2)cn1
InChIInChI=1S/C17H20N6O2S/c1-22(2)9-8-15-20-21-17(26-15)19-16(24)12-10-18-23(11-12)13-6-4-5-7-14(13)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,19,21,24)
InChIKeyUDSCXFZBDOBLKZ-UHFFFAOYSA-N
XLogP2.09
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-chlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
CID 49156662
4-(difluoromethoxy)-N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 134704246
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 110484349
2-methoxy-N-[5-[2-[2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3112374
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 134711899
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-5-carboxamide
CID 134703656
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 49162463
4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
CID 108798517
4-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319861
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 134706069

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide (CID 134706002) is N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide is COc1ccccc1-n1cc(C(=O)Nc2nnc(CCN(C)C)s2)cn1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is UDSCXFZBDOBLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-22(2)9-8-15-20-21-17(26-15)19-16(24)12-10-18-23(11-12)13-6-4-5-7-14(13)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,19,21,24).
What are the key properties of N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134706002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).