5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

C16H26N4S — CID 63071904

IUPAC5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CC1CCC1)c1nc2sccn2c1CNC(C)(C)C
InChIInChI=1S/C16H26N4S/c1-16(2,3)17-10-13-14(18-15-20(13)8-9-21-15)19(4)11-12-6-5-7-12/h8-9,12,17H,5-7,10-11H2,1-4H3
InChIKeySJHRPWJMLXWYBC-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.52
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine

5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 63071904) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID63071904
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(CC1CCC1)c1nc2sccn2c1CNC(C)(C)C
InChIInChI=1S/C16H26N4S/c1-16(2,3)17-10-13-14(18-15-20(13)8-9-21-15)19(4)11-12-6-5-7-12/h8-9,12,17H,5-7,10-11H2,1-4H3
InChIKeySJHRPWJMLXWYBC-UHFFFAOYSA-N
XLogP3.52
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine (CID 63071904) is 5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is CN(CC1CCC1)c1nc2sccn2c1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is SJHRPWJMLXWYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-16(2,3)17-10-13-14(18-15-20(13)8-9-21-15)19(4)11-12-6-5-7-12/h8-9,12,17H,5-7,10-11H2,1-4H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine?
5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 306.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 63071904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).