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

C13H21N3OS — CID 113289464

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(C)(O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H21N3OS/c1-10(2)7-14-9-13(3,17)6-11-8-16-4-5-18-12(16)15-11/h4-5,8,10,14,17H,6-7,9H2,1-3H3
InChIKeyUBEYXCJWYAFNRG-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.93
Rot. Bonds6

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

1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol (PubChem CID 113289464) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
PubChem CID113289464
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(C)(O)Cc1cn2ccsc2n1
InChIInChI=1S/C13H21N3OS/c1-10(2)7-14-9-13(3,17)6-11-8-16-4-5-18-12(16)15-11/h4-5,8,10,14,17H,6-7,9H2,1-3H3
InChIKeyUBEYXCJWYAFNRG-UHFFFAOYSA-N
XLogP1.93
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
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-(2-hydroxy-2,4-dimethylpentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 66179467
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83142775
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 115335237
1-imidazo[2,1-b][1,3]thiazol-6-yl-2,3-dimethylpentan-2-amine
CID 115333007
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 115332094
N-(2-cyclopentyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropyl)-2-methylpropan-1-amine
CID 115926891
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
2,2-difluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115406811
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N,4-dimethylpentan-1-amine
CID 113289311

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol (CID 113289464) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(C)(O)Cc1cn2ccsc2n1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is UBEYXCJWYAFNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(2)7-14-9-13(3,17)6-11-8-16-4-5-18-12(16)15-11/h4-5,8,10,14,17H,6-7,9H2,1-3H3.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol?
1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 267.40 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 113289464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).