1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol

C13H19N3OS2 — CID 111579179

IUPAC1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
SMILESCN(C)CC(O)CNCc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H19N3OS2/c1-16(2)7-12(17)6-14-5-11-9-19-13(15-11)10-3-4-18-8-10/h3-4,8-9,12,14,17H,5-7H2,1-2H3
InChIKeyFQNMTZSEPLWFHX-UHFFFAOYSA-N
MW297.45 g/mol
LogP1.88
Rot. Bonds7

About 1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol

1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol (PubChem CID 111579179) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
PubChem CID111579179
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol
SMILESCN(C)CC(O)CNCc1csc(-c2ccsc2)n1
InChIInChI=1S/C13H19N3OS2/c1-16(2)7-12(17)6-14-5-11-9-19-13(15-11)10-3-4-18-8-10/h3-4,8-9,12,14,17H,5-7H2,1-2H3
InChIKeyFQNMTZSEPLWFHX-UHFFFAOYSA-N
XLogP1.88
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
1-(dimethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248312
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol
CID 111440463
3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111469045
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
CID 113244476
methyl 2-[methyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 60673153
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692
2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 78817000
1-[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propyl]piperidin-4-ol
CID 110906485
2-methoxy-3-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 106107521

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol (CID 111579179) is 1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol is CN(C)CC(O)CNCc1csc(-c2ccsc2)n1.
What is the InChIKey of 1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
The InChIKey is FQNMTZSEPLWFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-16(2)7-12(17)6-14-5-11-9-19-13(15-11)10-3-4-18-8-10/h3-4,8-9,12,14,17H,5-7H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol?
1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol has a molecular weight of 297.45 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111579179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).