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

C17H21N3S — CID 115690864

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine
SMILESCC(C)(CCc1ccccc1)NCc1cn2ccsc2n1
InChIInChI=1S/C17H21N3S/c1-17(2,9-8-14-6-4-3-5-7-14)18-12-15-13-20-10-11-21-16(20)19-15/h3-7,10-11,13,18H,8-9,12H2,1-2H3
InChIKeyBBYZAKJIBMRBRF-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.90
Rot. Bonds6

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine (PubChem CID 115690864) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine
PubChem CID115690864
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine
SMILESCC(C)(CCc1ccccc1)NCc1cn2ccsc2n1
InChIInChI=1S/C17H21N3S/c1-17(2,9-8-14-6-4-3-5-7-14)18-12-15-13-20-10-11-21-16(20)19-15/h3-7,10-11,13,18H,8-9,12H2,1-2H3
InChIKeyBBYZAKJIBMRBRF-UHFFFAOYSA-N
XLogP3.90
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.90
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-methylaniline
CID 113288748
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 115332686
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-phenylbutan-2-amine
CID 115867947
2-methyl-4-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732424
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115621711
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83142775
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylsulfanylacetamide
CID 52569566
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
CID 115331445
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
4-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperidine-1-carboximidamide
CID 111152758
N-(2-aminoethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884629

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine (CID 115690864) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine is CC(C)(CCc1ccccc1)NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine?
The InChIKey is BBYZAKJIBMRBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-17(2,9-8-14-6-4-3-5-7-14)18-12-15-13-20-10-11-21-16(20)19-15/h3-7,10-11,13,18H,8-9,12H2,1-2H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine is sourced from PubChem (CID 115690864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).