3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide

C17H19N5OS — CID 67221631

IUPAC3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cn3nc(NCC4CC4)sc3n2)c1
InChIInChI=1S/C17H19N5OS/c1-21(2)15(23)13-5-3-4-12(8-13)14-10-22-17(19-14)24-16(20-22)18-9-11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,18,20)
InChIKeyXULRCSRJWQQKPM-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.98
Rot. Bonds5

About 3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide

3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide (PubChem CID 67221631) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide
PubChem CID67221631
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2cn3nc(NCC4CC4)sc3n2)c1
InChIInChI=1S/C17H19N5OS/c1-21(2)15(23)13-5-3-4-12(8-13)14-10-22-17(19-14)24-16(20-22)18-9-11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,18,20)
InChIKeyXULRCSRJWQQKPM-UHFFFAOYSA-N
XLogP2.98
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[2-[(1-methylpiperidin-4-yl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
CID 66748758
N,N-dimethyl-3-[2-(2-phenoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzamide
CID 67221019
6-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221230
N-ethyl-4-[[[6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]piperidine-1-carboxamide
CID 66748175
1-[3-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]ethanone
CID 67221150
N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220880
N-[3-[2-(2-methoxyethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]acetamide
CID 67221934
4-(2-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylbenzamide
CID 131984766
3-[2-(2-pyrazin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzoic acid
CID 67337075
6-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133486913
4-[[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]methyl]-N-ethylpiperidine-1-carboxamide
CID 66749413
6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221992

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide (CID 67221631) is 3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2cn3nc(NCC4CC4)sc3n2)c1.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide?
The InChIKey is XULRCSRJWQQKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-21(2)15(23)13-5-3-4-12(8-13)14-10-22-17(19-14)24-16(20-22)18-9-11-6-7-11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,18,20).
What are the key properties of 3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide?
3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide has a molecular weight of 341.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 67221631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).