5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol

C12H19N3OS — CID 106160046

IUPAC5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNCc1cn2ccsc2n1
InChIInChI=1S/C12H19N3OS/c1-10(9-16)3-2-4-13-7-11-8-15-5-6-17-12(15)14-11/h5-6,8,10,13,16H,2-4,7,9H2,1H3
InChIKeyQFCMONUISHWPCA-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.89
Rot. Bonds7

About 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol

5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol (PubChem CID 106160046) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol
PubChem CID106160046
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNCc1cn2ccsc2n1
InChIInChI=1S/C12H19N3OS/c1-10(9-16)3-2-4-13-7-11-8-15-5-6-17-12(15)14-11/h5-6,8,10,13,16H,2-4,7,9H2,1H3
InChIKeyQFCMONUISHWPCA-UHFFFAOYSA-N
XLogP1.89
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
3-bromo-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 115334551
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-iodopropan-1-amine
CID 114503614
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)-6-methylsulfanylhexan-1-amine
CID 114125625
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-1-ol
CID 115331507
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-3-methoxypropan-1-ol
CID 106190367
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115331632
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 115331593
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-(2-methoxyethoxy)ethanamine
CID 115331583

Frequently Asked Questions

What is the IUPAC name of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol (CID 106160046) is 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol is CC(CO)CCCNCc1cn2ccsc2n1.
What is the InChIKey of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol?
The InChIKey is QFCMONUISHWPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10(9-16)3-2-4-13-7-11-8-15-5-6-17-12(15)14-11/h5-6,8,10,13,16H,2-4,7,9H2,1H3.
What are the key properties of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol?
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol has a molecular weight of 253.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 106160046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).