1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol

C14H18N4OS — CID 103364994

IUPAC1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2snc(N)c2-c2cccnc2)C1
InChIInChI=1S/C14H18N4OS/c1-9(19)11-4-6-18(8-11)14-12(13(15)17-20-14)10-3-2-5-16-7-10/h2-3,5,7,9,11,19H,4,6,8H2,1H3,(H2,15,17)
InChIKeyXVDJEPBQNVDIAJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.99
Rot. Bonds3

About 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol

1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol (PubChem CID 103364994) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
PubChem CID103364994
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2snc(N)c2-c2cccnc2)C1
InChIInChI=1S/C14H18N4OS/c1-9(19)11-4-6-18(8-11)14-12(13(15)17-20-14)10-3-2-5-16-7-10/h2-3,5,7,9,11,19H,4,6,8H2,1H3,(H2,15,17)
InChIKeyXVDJEPBQNVDIAJ-UHFFFAOYSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361611
4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine
CID 103362091
5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
CID 103363092
5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
CID 103365800
5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103384010
3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide
CID 103383893
5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine
CID 103379473
5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360432
5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361291
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
5-[4-(dimethylamino)piperidin-1-yl]-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103360474
5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365859

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol (CID 103364994) is 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2snc(N)c2-c2cccnc2)C1.
What is the InChIKey of 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is XVDJEPBQNVDIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(19)11-4-6-18(8-11)14-12(13(15)17-20-14)10-3-2-5-16-7-10/h2-3,5,7,9,11,19H,4,6,8H2,1H3,(H2,15,17).
What are the key properties of 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol?
1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 290.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103364994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).