5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine

C15H13N5S3 — CID 2998107

IUPAC5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(Nc2nnc(SCc3cn4ccsc4n3)s2)c1
InChIInChI=1S/C15H13N5S3/c1-10-3-2-4-11(7-10)16-13-18-19-15(23-13)22-9-12-8-20-5-6-21-14(20)17-12/h2-8H,9H2,1H3,(H,16,18)
InChIKeyKPUWEYVQYFFMHZ-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.59
Rot. Bonds5

About 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine

5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 2998107) has the molecular formula C15H13N5S3 and a molecular weight of 359.51 g/mol. Its IUPAC name is 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID2998107
Molecular FormulaC15H13N5S3
Molecular Weight359.51 g/mol
Exact Mass359.03
IUPAC Name5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1cccc(Nc2nnc(SCc3cn4ccsc4n3)s2)c1
InChIInChI=1S/C15H13N5S3/c1-10-3-2-4-11(7-10)16-13-18-19-15(23-13)22-9-12-8-20-5-6-21-14(20)17-12/h2-8H,9H2,1H3,(H,16,18)
InChIKeyKPUWEYVQYFFMHZ-UHFFFAOYSA-N
XLogP4.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 2998107) is 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1cccc(Nc2nnc(SCc3cn4ccsc4n3)s2)c1.
What is the InChIKey of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KPUWEYVQYFFMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S3/c1-10-3-2-4-11(7-10)16-13-18-19-15(23-13)22-9-12-8-20-5-6-21-14(20)17-12/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 359.51 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2998107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).