5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine

C14H18N4S — CID 103365800

IUPAC5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
SMILESCC1CC(C)N(c2snc(N)c2-c2cccnc2)C1
InChIInChI=1S/C14H18N4S/c1-9-6-10(2)18(8-9)14-12(13(15)17-19-14)11-4-3-5-16-7-11/h3-5,7,9-10H,6,8H2,1-2H3,(H2,15,17)
InChIKeySITVIPOWZRMOKE-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.02
Rot. Bonds2

About 5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine

5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine (PubChem CID 103365800) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
PubChem CID103365800
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
SMILESCC1CC(C)N(c2snc(N)c2-c2cccnc2)C1
InChIInChI=1S/C14H18N4S/c1-9-6-10(2)18(8-9)14-12(13(15)17-19-14)11-4-3-5-16-7-11/h3-5,7,9-10H,6,8H2,1-2H3,(H2,15,17)
InChIKeySITVIPOWZRMOKE-UHFFFAOYSA-N
XLogP3.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine
CID 103363092
4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine
CID 103362091
1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361611
1-[1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 103364994
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370
5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359786
5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103361974
5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364915
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
4-pyridin-3-yl-5-N-(2,2,3,3-tetramethylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103364408
5-(2,6-dimethylthiomorpholin-4-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363094
5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361291

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine?
The IUPAC name of 5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine (CID 103365800) is 5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine is CC1CC(C)N(c2snc(N)c2-c2cccnc2)C1.
What is the InChIKey of 5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine?
The InChIKey is SITVIPOWZRMOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-6-10(2)18(8-9)14-12(13(15)17-19-14)11-4-3-5-16-7-11/h3-5,7,9-10H,6,8H2,1-2H3,(H2,15,17).
What are the key properties of 5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine?
5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine has a molecular weight of 274.39 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpyrrolidin-1-yl)-4-pyridin-3-yl-1,2-thiazol-3-amine is sourced from PubChem (CID 103365800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).