N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine

C15H21N5OS — CID 110270486

IUPACN-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCN1CCCC1c1nccnc1Nc1nc(C)cs1
InChIInChI=1S/C15H21N5OS/c1-11-10-22-15(18-11)19-14-13(16-5-6-17-14)12-4-3-7-20(12)8-9-21-2/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,17,18,19)
InChIKeyPIMMCNOPNHAAKB-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.77
Rot. Bonds6

About N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine

N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 110270486) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID110270486
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCN1CCCC1c1nccnc1Nc1nc(C)cs1
InChIInChI=1S/C15H21N5OS/c1-11-10-22-15(18-11)19-14-13(16-5-6-17-14)12-4-3-7-20(12)8-9-21-2/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,17,18,19)
InChIKeyPIMMCNOPNHAAKB-UHFFFAOYSA-N
XLogP2.77
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.77
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]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine (CID 110270486) is N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine is COCCN1CCCC1c1nccnc1Nc1nc(C)cs1.
What is the InChIKey of N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is PIMMCNOPNHAAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-10-22-15(18-11)19-14-13(16-5-6-17-14)12-4-3-7-20(12)8-9-21-2/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine?
N-[3-[1-(2-methoxyethyl)pyrrolidin-2-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 2.77, 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]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110270486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).