2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

C15H16N4OS — CID 96590591

IUPAC2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nn2cc(C(=O)Nc3ccc(C(C)C)cc3)nc2s1
InChIInChI=1S/C15H16N4OS/c1-9(2)11-4-6-12(7-5-11)16-14(20)13-8-19-15(17-13)21-10(3)18-19/h4-9H,1-3H3,(H,16,20)
InChIKeyMQZSMPZWXMXXKH-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.47
Rot. Bonds3

About 2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide

2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 96590591) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID96590591
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nn2cc(C(=O)Nc3ccc(C(C)C)cc3)nc2s1
InChIInChI=1S/C15H16N4OS/c1-9(2)11-4-6-12(7-5-11)16-14(20)13-8-19-15(17-13)21-10(3)18-19/h4-9H,1-3H3,(H,16,20)
InChIKeyMQZSMPZWXMXXKH-UHFFFAOYSA-N
XLogP3.47
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110859730
N-(3,5-dichlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110864252
N-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110865316
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
CID 69268312
6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 570967
N-phenyl-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 68614845
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of 2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide (CID 96590591) is 2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is Cc1nn2cc(C(=O)Nc3ccc(C(C)C)cc3)nc2s1.
What is the InChIKey of 2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is MQZSMPZWXMXXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9(2)11-4-6-12(7-5-11)16-14(20)13-8-19-15(17-13)21-10(3)18-19/h4-9H,1-3H3,(H,16,20).
What are the key properties of 2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide?
2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 96590591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).