N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide

C8H9N3OS — CID 22358658

IUPACN-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide
SMILESCN(C=O)Cc1ncc2sccn12
InChIInChI=1S/C8H9N3OS/c1-10(6-12)5-7-9-4-8-11(7)2-3-13-8/h2-4,6H,5H2,1H3
InChIKeyIYOIDXJELHYUAO-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.98
Rot. Bonds3

About N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide

N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide (PubChem CID 22358658) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide
PubChem CID22358658
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC NameN-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide
SMILESCN(C=O)Cc1ncc2sccn12
InChIInChI=1S/C8H9N3OS/c1-10(6-12)5-7-9-4-8-11(7)2-3-13-8/h2-4,6H,5H2,1H3
InChIKeyIYOIDXJELHYUAO-UHFFFAOYSA-N
XLogP0.98
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide?
The IUPAC name of N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide (CID 22358658) is N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide.
What is the SMILES notation for N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide?
The canonical SMILES for N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide is CN(C=O)Cc1ncc2sccn12.
What is the InChIKey of N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide?
The InChIKey is IYOIDXJELHYUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-10(6-12)5-7-9-4-8-11(7)2-3-13-8/h2-4,6H,5H2,1H3.
What are the key properties of N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide?
N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide has a molecular weight of 195.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[5,1-b][1,3]thiazol-5-ylmethyl)-N-methylformamide is sourced from PubChem (CID 22358658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).