3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide

C7H8N4S — CID 83875469

IUPAC3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
SMILES[H]/N=C(\N)c1sc2nccn2c1C
InChIInChI=1S/C7H8N4S/c1-4-5(6(8)9)12-7-10-2-3-11(4)7/h2-3H,1H3,(H3,8,9)
InChIKeyJIWDTSWSYPHNSR-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.99
Rot. Bonds1

About 3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide

3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide (PubChem CID 83875469) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide.

Molecular Properties

Compound Name3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
PubChem CID83875469
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide
SMILES[H]/N=C(\N)c1sc2nccn2c1C
InChIInChI=1S/C7H8N4S/c1-4-5(6(8)9)12-7-10-2-3-11(4)7/h2-3H,1H3,(H3,8,9)
InChIKeyJIWDTSWSYPHNSR-UHFFFAOYSA-N
XLogP0.99
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
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

ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 14801951
methyl N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboximidate
CID 163588493
(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)methanamine
CID 82503049
carbanide;2,3-dimethylimidazo[2,1-b][1,3]thiazole;methane;tungsten
CID 158024246
2-amino-4-methyl-1,3-thiazole-5-carboximidamide
CID 158488916
N-[2-(3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-1,3-thiazole-5-carboxamide
CID 167971918
3-methyl-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166245430
4-imidazol-1-yl-2,6-dimethylpyridine-3-carboximidamide
CID 81052434
2,6-dimethyl-4-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 81052305
4,6-dimethyl-2-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 61176360
2-(2-methylimidazol-1-yl)pyridine-3-carboximidamide
CID 24701918
5-(2-methylimidazol-1-yl)pyridine-2-carboximidamide
CID 115489725

Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide?
The IUPAC name of 3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide (CID 83875469) is 3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide.
What is the SMILES notation for 3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide?
The canonical SMILES for 3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide is [H]/N=C(\N)c1sc2nccn2c1C.
What is the InChIKey of 3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide?
The InChIKey is JIWDTSWSYPHNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-4-5(6(8)9)12-7-10-2-3-11(4)7/h2-3H,1H3,(H3,8,9).
What are the key properties of 3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide?
3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide has a molecular weight of 180.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[2,1-b][1,3]thiazole-2-carboximidamide is sourced from PubChem (CID 83875469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).