2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol

C14H24N4OS — CID 79390755

IUPAC2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol
SMILESCCCNCc1c(N(C)CC(C)(C)O)nc2sccn12
InChIInChI=1S/C14H24N4OS/c1-5-6-15-9-11-12(17(4)10-14(2,3)19)16-13-18(11)7-8-20-13/h7-8,15,19H,5-6,9-10H2,1-4H3
InChIKeyFPVJYGRVMHAEBW-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.10
Rot. Bonds7

About 2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol

2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol (PubChem CID 79390755) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol
PubChem CID79390755
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol
SMILESCCCNCc1c(N(C)CC(C)(C)O)nc2sccn12
InChIInChI=1S/C14H24N4OS/c1-5-6-15-9-11-12(17(4)10-14(2,3)19)16-13-18(11)7-8-20-13/h7-8,15,19H,5-6,9-10H2,1-4H3
InChIKeyFPVJYGRVMHAEBW-UHFFFAOYSA-N
XLogP2.10
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methyl-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476286
N-methyl-N-(3-methylbutan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43570377
N-methyl-5-(propylaminomethyl)-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43527744
N-methyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 115986374
5-[(tert-butylamino)methyl]-N-ethyl-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 55148570
1-[ethyl-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]amino]-2-methylpropan-2-ol
CID 79379203
N,N-dibutyl-5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 43476403
N-methyl-5-(methylaminomethyl)-N-propylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476472
N-butan-2-yl-5-(ethylaminomethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 43476483
1-[[[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114950575
3-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanylpropan-1-ol
CID 66127925
N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63804515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol (CID 79390755) is 2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol is CCCNCc1c(N(C)CC(C)(C)O)nc2sccn12.
What is the InChIKey of 2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol?
The InChIKey is FPVJYGRVMHAEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-5-6-15-9-11-12(17(4)10-14(2,3)19)16-13-18(11)7-8-20-13/h7-8,15,19H,5-6,9-10H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol?
2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol has a molecular weight of 296.44 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[5-(propylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]amino]propan-2-ol is sourced from PubChem (CID 79390755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).