2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide

C14H18N6OS — CID 110258409

IUPAC2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCc1csc(Nc2nccnc2C2CCCN2CC(N)=O)n1
InChIInChI=1S/C14H18N6OS/c1-9-8-22-14(18-9)19-13-12(16-4-5-17-13)10-3-2-6-20(10)7-11(15)21/h4-5,8,10H,2-3,6-7H2,1H3,(H2,15,21)(H,17,18,19)
InChIKeyYAAUGCNFUFBNAN-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.61
Rot. Bonds5

About 2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide

2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 110258409) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID110258409
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCc1csc(Nc2nccnc2C2CCCN2CC(N)=O)n1
InChIInChI=1S/C14H18N6OS/c1-9-8-22-14(18-9)19-13-12(16-4-5-17-13)10-3-2-6-20(10)7-11(15)21/h4-5,8,10H,2-3,6-7H2,1H3,(H2,15,21)(H,17,18,19)
InChIKeyYAAUGCNFUFBNAN-UHFFFAOYSA-N
XLogP1.61
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide (CID 110258409) is 2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide is Cc1csc(Nc2nccnc2C2CCCN2CC(N)=O)n1.
What is the InChIKey of 2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is YAAUGCNFUFBNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-9-8-22-14(18-9)19-13-12(16-4-5-17-13)10-3-2-6-20(10)7-11(15)21/h4-5,8,10H,2-3,6-7H2,1H3,(H2,15,21)(H,17,18,19).
What are the key properties of 2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 318.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110258409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).