1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol

C13H16N4OS — CID 103366053

IUPAC1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2snc(N)c2-c2ccncc2)C1
InChIInChI=1S/C13H16N4OS/c1-13(18)4-7-17(8-13)12-10(11(14)16-19-12)9-2-5-15-6-3-9/h2-3,5-6,18H,4,7-8H2,1H3,(H2,14,16)
InChIKeyTZWRTKLUZCKVJS-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.75
Rot. Bonds2

About 1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol

1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol (PubChem CID 103366053) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol
PubChem CID103366053
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2snc(N)c2-c2ccncc2)C1
InChIInChI=1S/C13H16N4OS/c1-13(18)4-7-17(8-13)12-10(11(14)16-19-12)9-2-5-15-6-3-9/h2-3,5-6,18H,4,7-8H2,1H3,(H2,14,16)
InChIKeyTZWRTKLUZCKVJS-UHFFFAOYSA-N
XLogP1.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363190
5-[4-(dimethylamino)piperidin-1-yl]-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103360474
5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363094
5-(2-methylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365792
5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103361974
3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103366052
[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361985
5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103365859
2-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103365080
5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103381127
4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine
CID 103362091
5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine
CID 103379473

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol (CID 103366053) is 1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2snc(N)c2-c2ccncc2)C1.
What is the InChIKey of 1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is TZWRTKLUZCKVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-13(18)4-7-17(8-13)12-10(11(14)16-19-12)9-2-5-15-6-3-9/h2-3,5-6,18H,4,7-8H2,1H3,(H2,14,16).
What are the key properties of 1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol?
1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 276.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103366053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).