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

C14H18N6OS — CID 50978740

IUPACN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)c2cn3ncsc3n2)n[nH]1
InChIInChI=1S/C14H18N6OS/c1-8(2)4-10-5-11(19-18-10)13(21)16-9(3)12-6-20-14(17-12)22-7-15-20/h5-9H,4H2,1-3H3,(H,16,21)(H,18,19)
InChIKeyYHXVCMWGUXNLRO-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.20
Rot. Bonds5

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

N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 50978740) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID50978740
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC NameN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC(C)c2cn3ncsc3n2)n[nH]1
InChIInChI=1S/C14H18N6OS/c1-8(2)4-10-5-11(19-18-10)13(21)16-9(3)12-6-20-14(17-12)22-7-15-20/h5-9H,4H2,1-3H3,(H,16,21)(H,18,19)
InChIKeyYHXVCMWGUXNLRO-UHFFFAOYSA-N
XLogP2.20
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 50978740) is N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)NC(C)c2cn3ncsc3n2)n[nH]1.
What is the InChIKey of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is YHXVCMWGUXNLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-8(2)4-10-5-11(19-18-10)13(21)16-9(3)12-6-20-14(17-12)22-7-15-20/h5-9H,4H2,1-3H3,(H,16,21)(H,18,19).
What are the key properties of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 318.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 50978740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).