N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

C16H26N4S — CID 43769985

IUPACN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCc1nc2sccn2c1CNCCCN1CCC(C)CC1
InChIInChI=1S/C16H26N4S/c1-13-4-8-19(9-5-13)7-3-6-17-12-15-14(2)18-16-20(15)10-11-21-16/h10-11,13,17H,3-9,12H2,1-2H3
InChIKeyWMDLCHUPSGVOBZ-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.92
Rot. Bonds6

About N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (PubChem CID 43769985) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
PubChem CID43769985
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
SMILESCc1nc2sccn2c1CNCCCN1CCC(C)CC1
InChIInChI=1S/C16H26N4S/c1-13-4-8-19(9-5-13)7-3-6-17-12-15-14(2)18-16-20(15)10-11-21-16/h10-11,13,17H,3-9,12H2,1-2H3
InChIKeyWMDLCHUPSGVOBZ-UHFFFAOYSA-N
XLogP2.92
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine (CID 43769985) is N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is Cc1nc2sccn2c1CNCCCN1CCC(C)CC1.
What is the InChIKey of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is WMDLCHUPSGVOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-13-4-8-19(9-5-13)7-3-6-17-12-15-14(2)18-16-20(15)10-11-21-16/h10-11,13,17H,3-9,12H2,1-2H3.
What are the key properties of N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine?
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 306.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 43769985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).