N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C14H21N5OS — CID 95336275

IUPACN,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESC[C@@H](Cn1cccn1)NCc1csc(CC(=O)N(C)C)n1
InChIInChI=1S/C14H21N5OS/c1-11(9-19-6-4-5-16-19)15-8-12-10-21-13(17-12)7-14(20)18(2)3/h4-6,10-11,15H,7-9H2,1-3H3/t11-/m0/s1
InChIKeyWEZBVBVHERVVSP-NSHDSACASA-N
MW307.42 g/mol
LogP1.15
Rot. Bonds7

About N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95336275) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID95336275
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESC[C@@H](Cn1cccn1)NCc1csc(CC(=O)N(C)C)n1
InChIInChI=1S/C14H21N5OS/c1-11(9-19-6-4-5-16-19)15-8-12-10-21-13(17-12)7-14(20)18(2)3/h4-6,10-11,15H,7-9H2,1-3H3/t11-/m0/s1
InChIKeyWEZBVBVHERVVSP-NSHDSACASA-N
XLogP1.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 95336275) is N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is C[C@@H](Cn1cccn1)NCc1csc(CC(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WEZBVBVHERVVSP-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5OS/c1-11(9-19-6-4-5-16-19)15-8-12-10-21-13(17-12)7-14(20)18(2)3/h4-6,10-11,15H,7-9H2,1-3H3/t11-/m0/s1.
What are the key properties of N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95336275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).