2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

C15H19N7O2S — CID 167752336

IUPAC2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nn2cc(C(=O)Nc3cnn(CCN4CCOCC4)c3)nc2s1
InChIInChI=1S/C15H19N7O2S/c1-11-19-22-10-13(18-15(22)25-11)14(23)17-12-8-16-21(9-12)3-2-20-4-6-24-7-5-20/h8-10H,2-7H2,1H3,(H,17,23)
InChIKeyXDAVHQWMWUBTFR-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.88
Rot. Bonds5

About 2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 167752336) has the molecular formula C15H19N7O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID167752336
Molecular FormulaC15H19N7O2S
Molecular Weight361.43 g/mol
Exact Mass361.13
IUPAC Name2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nn2cc(C(=O)Nc3cnn(CCN4CCOCC4)c3)nc2s1
InChIInChI=1S/C15H19N7O2S/c1-11-19-22-10-13(18-15(22)25-11)14(23)17-12-8-16-21(9-12)3-2-20-4-6-24-7-5-20/h8-10H,2-7H2,1H3,(H,17,23)
InChIKeyXDAVHQWMWUBTFR-UHFFFAOYSA-N
XLogP0.88
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523477
3-(2,4-difluorophenyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 86949234
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95744380
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]morpholine-4-carboxamide
CID 110873517
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42529427
trans-(1S,2S)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 97081561
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97010472
1-[(4-methyl-6,7-dihydrothieno[3,2-c]pyran-4-yl)methyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea
CID 139003219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of 2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 167752336) is 2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is Cc1nn2cc(C(=O)Nc3cnn(CCN4CCOCC4)c3)nc2s1.
What is the InChIKey of 2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is XDAVHQWMWUBTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2S/c1-11-19-22-10-13(18-15(22)25-11)14(23)17-12-8-16-21(9-12)3-2-20-4-6-24-7-5-20/h8-10H,2-7H2,1H3,(H,17,23).
What are the key properties of 2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 167752336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).