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

C15H21N5O2S — CID 95285121

IUPACN-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cs1
InChIInChI=1S/C15H21N5O2S/c1-11-5-16-20(6-11)9-14-8-19(3-4-22-14)7-13-10-23-15(18-13)17-12(2)21/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,17,18,21)/t14-/m0/s1
InChIKeyXIVPXHXVXMWMER-AWEZNQCLSA-N
MW335.43 g/mol
LogP1.51
Rot. Bonds5

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

N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95285121) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID95285121
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cs1
InChIInChI=1S/C15H21N5O2S/c1-11-5-16-20(6-11)9-14-8-19(3-4-22-14)7-13-10-23-15(18-13)17-12(2)21/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,17,18,21)/t14-/m0/s1
InChIKeyXIVPXHXVXMWMER-AWEZNQCLSA-N
XLogP1.51
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95305458
N-[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51294676
(2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95285694
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95291335
N-[4-[[2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86774975
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 95285530
N-[4-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86773551
(2S)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95290733
N-ethyl-N-[4-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95279235
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 95383272
N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 104977309

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 95285121) is N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCO[C@H](Cn3cc(C)cn3)C2)cs1.
What is the InChIKey of N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XIVPXHXVXMWMER-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-5-16-20(6-11)9-14-8-19(3-4-22-14)7-13-10-23-15(18-13)17-12(2)21/h5-6,10,14H,3-4,7-9H2,1-2H3,(H,17,18,21)/t14-/m0/s1.
What are the key properties of N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95285121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).