N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine

C17H27N3S — CID 115926891

IUPACN-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cn2ccsc2n1)C1CCCC1
InChIInChI=1S/C17H27N3S/c1-13(2)10-18-11-15(14-5-3-4-6-14)9-16-12-20-7-8-21-17(20)19-16/h7-8,12-15,18H,3-6,9-11H2,1-2H3
InChIKeyQXLLEGXNUSGZPM-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.99
Rot. Bonds7

About N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine

N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine (PubChem CID 115926891) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine
PubChem CID115926891
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC NameN-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1cn2ccsc2n1)C1CCCC1
InChIInChI=1S/C17H27N3S/c1-13(2)10-18-11-15(14-5-3-4-6-14)9-16-12-20-7-8-21-17(20)19-16/h7-8,12-15,18H,3-6,9-11H2,1-2H3
InChIKeyQXLLEGXNUSGZPM-UHFFFAOYSA-N
XLogP3.99
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
1-cycloheptyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115332915
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpentyl]cyclopropanamine
CID 115334270
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-ol
CID 115828299
4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 115332094
1-(3-ethylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333760
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 115334269
1-(cyclopropylamino)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-ol
CID 115335079
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115333735
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113289464

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine?
The IUPAC name of N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine (CID 115926891) is N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine is CC(C)CNCC(Cc1cn2ccsc2n1)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine?
The InChIKey is QXLLEGXNUSGZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-13(2)10-18-11-15(14-5-3-4-6-14)9-16-12-20-7-8-21-17(20)19-16/h7-8,12-15,18H,3-6,9-11H2,1-2H3.
What are the key properties of N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine?
N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115926891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).