N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C17H16N6OS2 — CID 25279105

IUPACN-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1nc(SCCNC(=O)c2csc3nc(-c4ccccc4)cn23)n[nH]1
InChIInChI=1S/C17H16N6OS2/c1-11-19-16(22-21-11)25-8-7-18-15(24)14-10-26-17-20-13(9-23(14)17)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,24)(H,19,21,22)
InChIKeySOLZDDOSQHGYHG-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.01
Rot. Bonds6

About N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide

N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 25279105) has the molecular formula C17H16N6OS2 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID25279105
Molecular FormulaC17H16N6OS2
Molecular Weight384.49 g/mol
Exact Mass384.08
IUPAC NameN-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1nc(SCCNC(=O)c2csc3nc(-c4ccccc4)cn23)n[nH]1
InChIInChI=1S/C17H16N6OS2/c1-11-19-16(22-21-11)25-8-7-18-15(24)14-10-26-17-20-13(9-23(14)17)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,24)(H,19,21,22)
InChIKeySOLZDDOSQHGYHG-UHFFFAOYSA-N
XLogP3.01
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 25279105) is N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1nc(SCCNC(=O)c2csc3nc(-c4ccccc4)cn23)n[nH]1.
What is the InChIKey of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is SOLZDDOSQHGYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS2/c1-11-19-16(22-21-11)25-8-7-18-15(24)14-10-26-17-20-13(9-23(14)17)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,18,24)(H,19,21,22).
What are the key properties of N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 384.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 25279105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).