N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

C15H19N5O2S — CID 56802356

IUPACN-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCCC2Cn2cc(C)cn2)cs1
InChIInChI=1S/C15H19N5O2S/c1-10-6-16-19(7-10)8-12-4-3-5-20(12)14(22)13-9-23-15(18-13)17-11(2)21/h6-7,9,12H,3-5,8H2,1-2H3,(H,17,18,21)
InChIKeyKNDJMWQDYMQJKZ-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.91
Rot. Bonds4

About N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 56802356) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID56802356
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCCC2Cn2cc(C)cn2)cs1
InChIInChI=1S/C15H19N5O2S/c1-10-6-16-19(7-10)8-12-4-3-5-20(12)14(22)13-9-23-15(18-13)17-11(2)21/h6-7,9,12H,3-5,8H2,1-2H3,(H,17,18,21)
InChIKeyKNDJMWQDYMQJKZ-UHFFFAOYSA-N
XLogP1.91
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 56802356) is N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CCCC2Cn2cc(C)cn2)cs1.
What is the InChIKey of N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KNDJMWQDYMQJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-6-16-19(7-10)8-12-4-3-5-20(12)14(22)13-9-23-15(18-13)17-11(2)21/h6-7,9,12H,3-5,8H2,1-2H3,(H,17,18,21).
What are the key properties of N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56802356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).