4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C13H25ClN4OS — CID 120961852

IUPAC4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCCN(CC)c1ncc(CNCC2CNCC2O)s1.Cl
InChIInChI=1S/C13H24N4OS.ClH/c1-3-17(4-2)13-16-8-11(19-13)7-14-5-10-6-15-9-12(10)18;/h8,10,12,14-15,18H,3-7,9H2,1-2H3;1H
InChIKeyFLVFRRUTDBYQNB-UHFFFAOYSA-N
MW320.89 g/mol
LogP1.08
Rot. Bonds7

About 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120961852) has the molecular formula C13H25ClN4OS and a molecular weight of 320.89 g/mol. Its IUPAC name is 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120961852
Molecular FormulaC13H25ClN4OS
Molecular Weight320.89 g/mol
Exact Mass320.14
IUPAC Name4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCCN(CC)c1ncc(CNCC2CNCC2O)s1.Cl
InChIInChI=1S/C13H24N4OS.ClH/c1-3-17(4-2)13-16-8-11(19-13)7-14-5-10-6-15-9-12(10)18;/h8,10,12,14-15,18H,3-7,9H2,1-2H3;1H
InChIKeyFLVFRRUTDBYQNB-UHFFFAOYSA-N
XLogP1.08
TPSA60.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962338
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 106124874
3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 103699816
4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963038
N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 60856533
N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61206615
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-N-ethylacetamide
CID 43777703
N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 95354246
N,N-diethyl-5-[[(1-methylcyclobutyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103735792
N,N-diethyl-5-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 103700618
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120961852) is 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is CCN(CC)c1ncc(CNCC2CNCC2O)s1.Cl.
What is the InChIKey of 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is FLVFRRUTDBYQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS.ClH/c1-3-17(4-2)13-16-8-11(19-13)7-14-5-10-6-15-9-12(10)18;/h8,10,12,14-15,18H,3-7,9H2,1-2H3;1H.
What are the key properties of 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120961852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).