3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine

C12H17N3S — CID 79324353

IUPAC3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
SMILESCc1nc2sccn2c1C=C(CN)C(C)C
InChIInChI=1S/C12H17N3S/c1-8(2)10(7-13)6-11-9(3)14-12-15(11)4-5-16-12/h4-6,8H,7,13H2,1-3H3
InChIKeySXXTZOOCUUYAPU-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.70
Rot. Bonds3

About 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine

3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine (PubChem CID 79324353) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
PubChem CID79324353
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
SMILESCc1nc2sccn2c1C=C(CN)C(C)C
InChIInChI=1S/C12H17N3S/c1-8(2)10(7-13)6-11-9(3)14-12-15(11)4-5-16-12/h4-6,8H,7,13H2,1-3H3
InChIKeySXXTZOOCUUYAPU-UHFFFAOYSA-N
XLogP2.70
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79339901
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339746
N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79346775
2-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-amine
CID 79323524
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-ol
CID 79334284
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol
CID 79334066
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal
CID 79331317
N,2-dimethyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine
CID 79340574
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329020
(E)-2-cyano-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 43244886
N-(2-methoxyethyl)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79339937
3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)butanoic acid
CID 82617758

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
The IUPAC name of 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine (CID 79324353) is 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
The canonical SMILES for 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine is Cc1nc2sccn2c1C=C(CN)C(C)C.
What is the InChIKey of 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
The InChIKey is SXXTZOOCUUYAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8(2)10(7-13)6-11-9(3)14-12-15(11)4-5-16-12/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine?
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79324353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).