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

C15H25N3S — CID 115332398

IUPAC3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(Cc1cn2ccsc2n1)C(C)C
InChIInChI=1S/C15H25N3S/c1-5-6-16-12(4)14(11(2)3)9-13-10-18-7-8-19-15(18)17-13/h7-8,10-12,14,16H,5-6,9H2,1-4H3
InChIKeyNRELSGGQXHQIGV-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.60
Rot. Bonds7

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

3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine (PubChem CID 115332398) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine
PubChem CID115332398
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(C)C(Cc1cn2ccsc2n1)C(C)C
InChIInChI=1S/C15H25N3S/c1-5-6-16-12(4)14(11(2)3)9-13-10-18-7-8-19-15(18)17-13/h7-8,10-12,14,16H,5-6,9H2,1-4H3
InChIKeyNRELSGGQXHQIGV-UHFFFAOYSA-N
XLogP3.60
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethyl-N-propylbutan-1-amine
CID 113289514
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 115333706
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylsulfonyl-N-propylbutan-2-amine
CID 105023459
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-N-propylhexan-3-amine
CID 115334726
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105174072
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methoxy-4,4-dimethyl-N-propylpentan-2-amine
CID 116725116
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105174053
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
CID 113289314
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115333944
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine
CID 115332363

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine (CID 115332398) is 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine is CCCNC(C)C(Cc1cn2ccsc2n1)C(C)C.
What is the InChIKey of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is NRELSGGQXHQIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-5-6-16-12(4)14(11(2)3)9-13-10-18-7-8-19-15(18)17-13/h7-8,10-12,14,16H,5-6,9H2,1-4H3.
What are the key properties of 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine?
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine has a molecular weight of 279.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 115332398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).