N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide

C16H17N3O4S — CID 3242965

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cn3ccsc3n2)cc(OC)c1OC
InChIInChI=1S/C16H17N3O4S/c1-21-12-6-10(7-13(22-2)14(12)23-3)15(20)17-8-11-9-19-4-5-24-16(19)18-11/h4-7,9H,8H2,1-3H3,(H,17,20)
InChIKeyPRRRXPOHSJADPQ-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.35
Rot. Bonds6

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide (PubChem CID 3242965) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide
PubChem CID3242965
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cn3ccsc3n2)cc(OC)c1OC
InChIInChI=1S/C16H17N3O4S/c1-21-12-6-10(7-13(22-2)14(12)23-3)15(20)17-8-11-9-19-4-5-24-16(19)18-11/h4-7,9H,8H2,1-3H3,(H,17,20)
InChIKeyPRRRXPOHSJADPQ-UHFFFAOYSA-N
XLogP2.35
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide (CID 3242965) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCc2cn3ccsc3n2)cc(OC)c1OC.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide?
The InChIKey is PRRRXPOHSJADPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-21-12-6-10(7-13(22-2)14(12)23-3)15(20)17-8-11-9-19-4-5-24-16(19)18-11/h4-7,9H,8H2,1-3H3,(H,17,20).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide has a molecular weight of 347.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 3242965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).