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

C16H21N5OS — CID 110270520

IUPAC2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1csc(Nc2nccnc2C2CCCN2C(=O)C(C)C)n1
InChIInChI=1S/C16H21N5OS/c1-10(2)15(22)21-8-4-5-12(21)13-14(18-7-6-17-13)20-16-19-11(3)9-23-16/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyFZGJWAPCEKDXPE-UHFFFAOYSA-N
MW331.45 g/mol
LogP3.30
Rot. Bonds4

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

2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110270520) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID110270520
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCc1csc(Nc2nccnc2C2CCCN2C(=O)C(C)C)n1
InChIInChI=1S/C16H21N5OS/c1-10(2)15(22)21-8-4-5-12(21)13-14(18-7-6-17-13)20-16-19-11(3)9-23-16/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,18,19,20)
InChIKeyFZGJWAPCEKDXPE-UHFFFAOYSA-N
XLogP3.30
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 110270520) is 2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is Cc1csc(Nc2nccnc2C2CCCN2C(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is FZGJWAPCEKDXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10(2)15(22)21-8-4-5-12(21)13-14(18-7-6-17-13)20-16-19-11(3)9-23-16/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,18,19,20).
What are the key properties of 2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 331.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110270520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).