2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide

C8H8F2N4S — CID 139358422

IUPAC2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide
SMILESC/N=C(\N)c1cnc2sc(C(F)F)cn12
InChIInChI=1S/C8H8F2N4S/c1-12-7(11)4-2-13-8-14(4)3-5(15-8)6(9)10/h2-3,6H,1H3,(H2,11,12)
InChIKeyVGZQTBGFHGTGKV-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.67
Rot. Bonds2

About 2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide

2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide (PubChem CID 139358422) has the molecular formula C8H8F2N4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide
PubChem CID139358422
Molecular FormulaC8H8F2N4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide
SMILESC/N=C(\N)c1cnc2sc(C(F)F)cn12
InChIInChI=1S/C8H8F2N4S/c1-12-7(11)4-2-13-8-14(4)3-5(15-8)6(9)10/h2-3,6H,1H3,(H2,11,12)
InChIKeyVGZQTBGFHGTGKV-UHFFFAOYSA-N
XLogP1.67
TPSA55.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-[(Dimethylsulfamoylamino)methyl]-3-methylimidazo[2,1-b][1,3]thiazole
CID 5310188
Imidazo(2,1-b)(1,3)thiazol-6-ylmethanamine
CID 4680249
6-Methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide
CID 16790119
2-Bromo-6-methylimidazo[2,1-b][1,3]thiazole
CID 118140654
2-[(E)-(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 10515267
2-[(E)-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride
CID 45265236
3-Methyl-6-(trifluoromethyl)imidazo[2,1-b]thiazole
CID 72183228
Methyl((6-methylimidazo(2,1-b)(1,3)thiazol-5-yl)methyl)amine dihydrochloride
CID 50988377
{2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl}methanamine dihydrochloride
CID 119056961
6-Methylimidazo[2,1-b]thiazole
CID 329946
N,N-dimethyl-5-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine
CID 56868675
Imidazo[2,1-b]thiazol-5-ylmethanamine
CID 82416838

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide?
The IUPAC name of 2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide (CID 139358422) is 2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide.
What is the SMILES notation for 2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide?
The canonical SMILES for 2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide is C/N=C(\N)c1cnc2sc(C(F)F)cn12.
What is the InChIKey of 2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide?
The InChIKey is VGZQTBGFHGTGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4S/c1-12-7(11)4-2-13-8-14(4)3-5(15-8)6(9)10/h2-3,6H,1H3,(H2,11,12).
What are the key properties of 2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide?
2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide has a molecular weight of 230.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N'-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide is sourced from PubChem (CID 139358422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).