3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile

C10H14N4OS — CID 103382102

IUPAC3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESCOCC1CCN(c2snc(N)c2C#N)C1
InChIInChI=1S/C10H14N4OS/c1-15-6-7-2-3-14(5-7)10-8(4-11)9(12)13-16-10/h7H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyXGBOYNURVWPJPW-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.07
Rot. Bonds3

About 3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile

3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile (PubChem CID 103382102) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
PubChem CID103382102
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESCOCC1CCN(c2snc(N)c2C#N)C1
InChIInChI=1S/C10H14N4OS/c1-15-6-7-2-3-14(5-7)10-8(4-11)9(12)13-16-10/h7H,2-3,5-6H2,1H3,(H2,12,13)
InChIKeyXGBOYNURVWPJPW-UHFFFAOYSA-N
XLogP1.07
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382060
3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103381020
3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylsulfanylthiophene-2-carbonitrile
CID 103422654
3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103381604
2-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 103365910
3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382124
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125
3-chloro-5-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 133390666
3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
CID 103379570
3-[3-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine
CID 104540458
3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103380964
5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103384010

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile (CID 103382102) is 3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile is COCC1CCN(c2snc(N)c2C#N)C1.
What is the InChIKey of 3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile?
The InChIKey is XGBOYNURVWPJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-15-6-7-2-3-14(5-7)10-8(4-11)9(12)13-16-10/h7H,2-3,5-6H2,1H3,(H2,12,13).
What are the key properties of 3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile?
3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile has a molecular weight of 238.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103382102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).