N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C15H14N6O2S — CID 97146678

IUPACN-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3cn4ncsc4n3)n[nH]2)o1
InChIInChI=1S/C15H14N6O2S/c1-8-3-4-13(23-8)10-5-11(20-19-10)14(22)17-9(2)12-6-21-15(18-12)24-7-16-21/h3-7,9H,1-2H3,(H,17,22)(H,19,20)/t9-/m1/s1
InChIKeyBLICASMBPIUPFX-SECBINFHSA-N
MW342.38 g/mol
LogP2.57
Rot. Bonds4

About N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 97146678) has the molecular formula C15H14N6O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID97146678
Molecular FormulaC15H14N6O2S
Molecular Weight342.38 g/mol
Exact Mass342.09
IUPAC NameN-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3cn4ncsc4n3)n[nH]2)o1
InChIInChI=1S/C15H14N6O2S/c1-8-3-4-13(23-8)10-5-11(20-19-10)14(22)17-9(2)12-6-21-15(18-12)24-7-16-21/h3-7,9H,1-2H3,(H,17,22)(H,19,20)/t9-/m1/s1
InChIKeyBLICASMBPIUPFX-SECBINFHSA-N
XLogP2.57
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91838300
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 70753994
5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 112829266
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70767304
N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97145627
N-[(2R)-2-(ethylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 120652895
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide
CID 91765837
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 74246934
(E)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]hex-4-enoic acid
CID 120694047
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 91772701
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
N-(3-methylcyclohexyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829385

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 97146678) is N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cn4ncsc4n3)n[nH]2)o1.
What is the InChIKey of N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is BLICASMBPIUPFX-SECBINFHSA-N. The full InChI is InChI=1S/C15H14N6O2S/c1-8-3-4-13(23-8)10-5-11(20-19-10)14(22)17-9(2)12-6-21-15(18-12)24-7-16-21/h3-7,9H,1-2H3,(H,17,22)(H,19,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97146678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).