N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H16N6OS — CID 29258290

IUPACN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nn2cc(CCNC(=O)c3n[nH]c4c3CCC4)nc2s1
InChIInChI=1S/C14H16N6OS/c1-8-19-20-7-9(16-14(20)22-8)5-6-15-13(21)12-10-3-2-4-11(10)17-18-12/h7H,2-6H2,1H3,(H,15,21)(H,17,18)
InChIKeyZRPYCFLEJSKPAT-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.28
Rot. Bonds4

About N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 29258290) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID29258290
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC NameN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nn2cc(CCNC(=O)c3n[nH]c4c3CCC4)nc2s1
InChIInChI=1S/C14H16N6OS/c1-8-19-20-7-9(16-14(20)22-8)5-6-15-13(21)12-10-3-2-4-11(10)17-18-12/h7H,2-6H2,1H3,(H,15,21)(H,17,18)
InChIKeyZRPYCFLEJSKPAT-UHFFFAOYSA-N
XLogP1.28
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 29258290) is N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1nn2cc(CCNC(=O)c3n[nH]c4c3CCC4)nc2s1.
What is the InChIKey of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is ZRPYCFLEJSKPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-8-19-20-7-9(16-14(20)22-8)5-6-15-13(21)12-10-3-2-4-11(10)17-18-12/h7H,2-6H2,1H3,(H,15,21)(H,17,18).
What are the key properties of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 29258290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).