N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

C14H19N5OS — CID 118740343

IUPACN-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCOCCN1CCCC1c1nccnc1Nc1nccs1
InChIInChI=1S/C14H19N5OS/c1-20-9-8-19-7-2-3-11(19)12-13(16-5-4-15-12)18-14-17-6-10-21-14/h4-6,10-11H,2-3,7-9H2,1H3,(H,16,17,18)
InChIKeyBPMXDQUKJDVCCQ-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.46
Rot. Bonds6

About N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 118740343) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID118740343
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCOCCN1CCCC1c1nccnc1Nc1nccs1
InChIInChI=1S/C14H19N5OS/c1-20-9-8-19-7-2-3-11(19)12-13(16-5-4-15-12)18-14-17-6-10-21-14/h4-6,10-11H,2-3,7-9H2,1H3,(H,16,17,18)
InChIKeyBPMXDQUKJDVCCQ-UHFFFAOYSA-N
XLogP2.46
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 118740343) is N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is COCCN1CCCC1c1nccnc1Nc1nccs1.
What is the InChIKey of N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is BPMXDQUKJDVCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-20-9-8-19-7-2-3-11(19)12-13(16-5-4-15-12)18-14-17-6-10-21-14/h4-6,10-11H,2-3,7-9H2,1H3,(H,16,17,18).
What are the key properties of N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine?
N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 305.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118740343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).