N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

C14H14N4O2S — CID 110851656

IUPACN-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)nc3scnn23)cc1
InChIInChI=1S/C14H14N4O2S/c1-9-12(18-14(17-9)21-8-16-18)13(19)15-7-10-3-5-11(20-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyQLPDIKPAHDTPQL-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.04
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide

N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (PubChem CID 110851656) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
PubChem CID110851656
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(C)nc3scnn23)cc1
InChIInChI=1S/C14H14N4O2S/c1-9-12(18-14(17-9)21-8-16-18)13(19)15-7-10-3-5-11(20-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyQLPDIKPAHDTPQL-UHFFFAOYSA-N
XLogP2.04
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110850928
N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110851657
N-[(2-chlorophenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110851429
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
ethyl 6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate
CID 13426068
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691868
N-(2-chlorophenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110858809
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110851660
N-(2,5-dimethylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide
CID 110857331
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide (CID 110851656) is N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is COc1ccc(CNC(=O)c2c(C)nc3scnn23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
The InChIKey is QLPDIKPAHDTPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-12(18-14(17-9)21-8-16-18)13(19)15-7-10-3-5-11(20-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,15,19).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide is sourced from PubChem (CID 110851656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).