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

C13H18ClN3OS2 — CID 120963038

IUPAC4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cnc(-c2ccsc2)s1
InChIInChI=1S/C13H17N3OS2.ClH/c17-12-7-15-4-10(12)3-14-5-11-6-16-13(19-11)9-1-2-18-8-9;/h1-2,6,8,10,12,14-15,17H,3-5,7H2;1H
InChIKeyWFEKZEFUTCPXFG-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.96
Rot. Bonds5

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

4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120963038) has the molecular formula C13H18ClN3OS2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120963038
Molecular FormulaC13H18ClN3OS2
Molecular Weight331.89 g/mol
Exact Mass331.06
IUPAC Name4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cnc(-c2ccsc2)s1
InChIInChI=1S/C13H17N3OS2.ClH/c17-12-7-15-4-10(12)3-14-5-11-6-16-13(19-11)9-1-2-18-8-9;/h1-2,6,8,10,12,14-15,17H,3-5,7H2;1H
InChIKeyWFEKZEFUTCPXFG-UHFFFAOYSA-N
XLogP1.96
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride with MolForge

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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]pyrrolidin-3-ol;hydrochloride
CID 120961852
1-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 111974624
(2R)-2-phenyl-2-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]acetic acid
CID 166226959
2-(2,5-dimethylfuran-3-yl)-1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 111974733
4-[[(5-methyl-2-pyridinyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961758
4-[[[5-(2-chlorophenyl)thiophen-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962948
4-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962048
4-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962467
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
CID 120906913
3-amino-N-[[1-[(2-thiophen-3-yl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911203
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120963038) is 4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNCC1CNCc1cnc(-c2ccsc2)s1.
What is the InChIKey of 4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is WFEKZEFUTCPXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2.ClH/c17-12-7-15-4-10(12)3-14-5-11-6-16-13(19-11)9-1-2-18-8-9;/h1-2,6,8,10,12,14-15,17H,3-5,7H2;1H.
What are the key properties of 4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-thiophen-3-yl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120963038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).