1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide

C15H20N6OS — CID 50966591

IUPAC1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCc1nn2cc(CCNC(=O)c3cc(C(C)C)nn3C)nc2s1
InChIInChI=1S/C15H20N6OS/c1-9(2)12-7-13(20(4)19-12)14(22)16-6-5-11-8-21-15(17-11)23-10(3)18-21/h7-9H,5-6H2,1-4H3,(H,16,22)
InChIKeyBRSYSQKZVOHDQX-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.93
Rot. Bonds5

About 1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide

1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 50966591) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID50966591
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCc1nn2cc(CCNC(=O)c3cc(C(C)C)nn3C)nc2s1
InChIInChI=1S/C15H20N6OS/c1-9(2)12-7-13(20(4)19-12)14(22)16-6-5-11-8-21-15(17-11)23-10(3)18-21/h7-9H,5-6H2,1-4H3,(H,16,22)
InChIKeyBRSYSQKZVOHDQX-UHFFFAOYSA-N
XLogP1.93
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50958056
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-7-isopropyl[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77078669
N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 95136196
N-[1-(1H-imidazol-1-ylmethyl)-2-methylpropyl]-7-isopropyl[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 50974403
N-methyl-1-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]pyrazole-3-carboxamide
CID 128977538
1-ethyl-N-[2-[methyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 167892278
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 29258290
7-isopropyl-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propyl}[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46996822
1-ethyl-3-isopropyl-N-{[1-methyl-2-(methylthio)-1H-imidazol-5-yl]methyl}-1H-pyrazole-5-carboxamide
CID 50950064
5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50971982
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 50975034
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide
CID 50977536

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 50966591) is 1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide is Cc1nn2cc(CCNC(=O)c3cc(C(C)C)nn3C)nc2s1.
What is the InChIKey of 1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is BRSYSQKZVOHDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-9(2)12-7-13(20(4)19-12)14(22)16-6-5-11-8-21-15(17-11)23-10(3)18-21/h7-9H,5-6H2,1-4H3,(H,16,22).
What are the key properties of 1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 50966591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).