N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H23N5OS — CID 95611603

IUPACN,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCN(C)C(=O)Cc1nc(CN2CCC[C@@H]2Cn2cccn2)cs1
InChIInChI=1S/C16H23N5OS/c1-19(2)16(22)9-15-18-13(12-23-15)10-20-7-3-5-14(20)11-21-8-4-6-17-21/h4,6,8,12,14H,3,5,7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyFIBNBBVGQDJXQA-CQSZACIVSA-N
MW333.46 g/mol
LogP1.63
Rot. Bonds6

About N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95611603) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID95611603
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCN(C)C(=O)Cc1nc(CN2CCC[C@@H]2Cn2cccn2)cs1
InChIInChI=1S/C16H23N5OS/c1-19(2)16(22)9-15-18-13(12-23-15)10-20-7-3-5-14(20)11-21-8-4-6-17-21/h4,6,8,12,14H,3,5,7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyFIBNBBVGQDJXQA-CQSZACIVSA-N
XLogP1.63
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 95611603) is N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CN(C)C(=O)Cc1nc(CN2CCC[C@@H]2Cn2cccn2)cs1.
What is the InChIKey of N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FIBNBBVGQDJXQA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-19(2)16(22)9-15-18-13(12-23-15)10-20-7-3-5-14(20)11-21-8-4-6-17-21/h4,6,8,12,14H,3,5,7,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95611603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).