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

C16H25N3S — CID 79339746

IUPAC3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
SMILESCc1nc2sccn2c1C=C(CNCC(C)C)C(C)C
InChIInChI=1S/C16H25N3S/c1-11(2)9-17-10-14(12(3)4)8-15-13(5)18-16-19(15)6-7-20-16/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyKMMNTJVPRWWEPR-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.99
Rot. Bonds6

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

3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine (PubChem CID 79339746) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
PubChem CID79339746
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
SMILESCc1nc2sccn2c1C=C(CNCC(C)C)C(C)C
InChIInChI=1S/C16H25N3S/c1-11(2)9-17-10-14(12(3)4)8-15-13(5)18-16-19(15)6-7-20-16/h6-8,11-12,17H,9-10H2,1-5H3
InChIKeyKMMNTJVPRWWEPR-UHFFFAOYSA-N
XLogP3.99
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79329020
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79339901
N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79346775
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79324353
N,2-dimethyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-amine
CID 79340574
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal
CID 79331317
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
N-(2-methoxyethyl)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79339937
(E)-2-cyano-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 43244886
2-[(4-bromothiophen-2-yl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339297

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine (CID 79339746) is 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine is Cc1nc2sccn2c1C=C(CNCC(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is KMMNTJVPRWWEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-11(2)9-17-10-14(12(3)4)8-15-13(5)18-16-19(15)6-7-20-16/h6-8,11-12,17H,9-10H2,1-5H3.
What are the key properties of 3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine?
3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 3.99, 6 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]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79339746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).