3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol

C13H18N2OS2 — CID 111916731

IUPAC3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1cnc(-c2cccs2)s1
InChIInChI=1S/C13H18N2OS2/c1-2-10(5-6-16)14-8-11-9-15-13(18-11)12-4-3-7-17-12/h3-4,7,9-10,14,16H,2,5-6,8H2,1H3
InChIKeyURVRPHMXOHHPQH-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.12
Rot. Bonds7

About 3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol

3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol (PubChem CID 111916731) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol
PubChem CID111916731
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC Name3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1cnc(-c2cccs2)s1
InChIInChI=1S/C13H18N2OS2/c1-2-10(5-6-16)14-8-11-9-15-13(18-11)12-4-3-7-17-12/h3-4,7,9-10,14,16H,2,5-6,8H2,1H3
InChIKeyURVRPHMXOHHPQH-UHFFFAOYSA-N
XLogP3.12
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
CID 111916789
[1-[[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 111916796
2-cyclopropyl-2-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 111977204
[3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
CID 99791904
2-(2-thiophen-2-yl-1,3-thiazol-5-yl)propan-1-ol
CID 115091257
4-methyl-3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]benzamide
CID 71913528
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 111449241
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol
CID 111449190
(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 104980601
N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82424489
methyl 2-[5-[(1-hydroxypentan-3-ylamino)methyl]thiophen-2-yl]acetate
CID 115907658

Frequently Asked Questions

What is the IUPAC name of 3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol (CID 111916731) is 3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol is CCC(CCO)NCc1cnc(-c2cccs2)s1.
What is the InChIKey of 3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol?
The InChIKey is URVRPHMXOHHPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-2-10(5-6-16)14-8-11-9-15-13(18-11)12-4-3-7-17-12/h3-4,7,9-10,14,16H,2,5-6,8H2,1H3.
What are the key properties of 3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol?
3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol has a molecular weight of 282.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 111916731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).