1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol

C14H21N3OS — CID 115475685

IUPAC1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
SMILESCC(C)(C)NCC(O)Cn1ccnc1-c1cccs1
InChIInChI=1S/C14H21N3OS/c1-14(2,3)16-9-11(18)10-17-7-6-15-13(17)12-5-4-8-19-12/h4-8,11,16,18H,9-10H2,1-3H3
InChIKeyFFOYHYZLMCGQRB-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.36
Rot. Bonds5

About 1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol

1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol (PubChem CID 115475685) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
PubChem CID115475685
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
SMILESCC(C)(C)NCC(O)Cn1ccnc1-c1cccs1
InChIInChI=1S/C14H21N3OS/c1-14(2,3)16-9-11(18)10-17-7-6-15-13(17)12-5-4-8-19-12/h4-8,11,16,18H,9-10H2,1-3H3
InChIKeyFFOYHYZLMCGQRB-UHFFFAOYSA-N
XLogP2.36
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 112560248
N-tert-butyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]prop-2-en-1-amine
CID 103072252
1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 115475677
N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
CID 113353806
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
1-(2-bromo-3,3,3-trifluoropropyl)-2-thiophen-2-ylimidazole
CID 64756890
1-(4-fluorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)ethanol
CID 109411319
N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine
CID 62041227
4-[1-hydroxy-2-(2-thiophen-2-ylimidazol-1-yl)ethyl]benzonitrile
CID 109411315
1-(3-methylbut-3-enyl)-2-thiophen-2-ylimidazole
CID 114476766
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
CID 64719272

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol (CID 115475685) is 1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol is CC(C)(C)NCC(O)Cn1ccnc1-c1cccs1.
What is the InChIKey of 1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
The InChIKey is FFOYHYZLMCGQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-14(2,3)16-9-11(18)10-17-7-6-15-13(17)12-5-4-8-19-12/h4-8,11,16,18H,9-10H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol?
1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol has a molecular weight of 279.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 115475685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).