N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine

C16H26N4S — CID 115332094

IUPACN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C16H26N4S/c1-13(2)9-17-10-14-3-5-19(6-4-14)11-15-12-20-7-8-21-16(20)18-15/h7-8,12-14,17H,3-6,9-11H2,1-2H3
InChIKeyZQDLJFILPCVQPT-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.85
Rot. Bonds6

About N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 115332094) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID115332094
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC NameN-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C16H26N4S/c1-13(2)9-17-10-14-3-5-19(6-4-14)11-15-12-20-7-8-21-16(20)18-15/h7-8,12-14,17H,3-6,9-11H2,1-2H3
InChIKeyZQDLJFILPCVQPT-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 115331593
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 115332088
3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 115332616
N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine
CID 115926891
3-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942196
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 113289464
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110082
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 115332085

Frequently Asked Questions

What is the IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine (CID 115332094) is N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(Cc2cn3ccsc3n2)CC1.
What is the InChIKey of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZQDLJFILPCVQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-13(2)9-17-10-14-3-5-19(6-4-14)11-15-12-20-7-8-21-16(20)18-15/h7-8,12-14,17H,3-6,9-11H2,1-2H3.
What are the key properties of N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 306.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115332094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).