N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C16H18N4O2S — CID 67221909

IUPACN-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(N(C)C4CC4)nn23)cc1OC
InChIInChI=1S/C16H18N4O2S/c1-19(11-5-6-11)16-18-20-12(9-17-15(20)23-16)10-4-7-13(21-2)14(8-10)22-3/h4,7-9,11H,5-6H2,1-3H3
InChIKeyVCGMJGKNVBDIFD-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.07
Rot. Bonds5

About N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67221909) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67221909
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(N(C)C4CC4)nn23)cc1OC
InChIInChI=1S/C16H18N4O2S/c1-19(11-5-6-11)16-18-20-12(9-17-15(20)23-16)10-4-7-13(21-2)14(8-10)22-3/h4,7-9,11H,5-6H2,1-3H3
InChIKeyVCGMJGKNVBDIFD-UHFFFAOYSA-N
XLogP3.07
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67221909) is N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1ccc(-c2cnc3sc(N(C)C4CC4)nn23)cc1OC.
What is the InChIKey of N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is VCGMJGKNVBDIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-19(11-5-6-11)16-18-20-12(9-17-15(20)23-16)10-4-7-13(21-2)14(8-10)22-3/h4,7-9,11H,5-6H2,1-3H3.
What are the key properties of N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 330.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3,4-dimethoxyphenyl)-N-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67221909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).