4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide

C14H23N3O2S — CID 100057946

IUPAC4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide
SMILESCC[C@@H](C1=NC=CS1)NC(=O)CCCN2CCOCC2
InChIInChI=1S/C14H23N3O2S/c1-2-12(14-15-5-11-20-14)16-13(18)4-3-6-17-7-9-19-10-8-17/h5,11-12H,2-4,6-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyLEDUHIQIUGROEB-LBPRGKRZSA-N
MW297.42 g/mol
LogP1.00
Rot. Bonds7

About 4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide

4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide (PubChem CID 100057946) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide
PubChem CID100057946
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide
SMILESCC[C@@H](C1=NC=CS1)NC(=O)CCCN2CCOCC2
InChIInChI=1S/C14H23N3O2S/c1-2-12(14-15-5-11-20-14)16-13(18)4-3-6-17-7-9-19-10-8-17/h5,11-12H,2-4,6-10H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyLEDUHIQIUGROEB-LBPRGKRZSA-N
XLogP1.00
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity298

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one
CID 71866169
ethyl (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-thiazol-2-yl-propanoate
CID 485049
1-[1-(2-Methoxyethyl)piperidin-3-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72129756
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one
CID 96519867
2,2,6,6-tetramethyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]morpholine-4-carboxamide
CID 99831057
2-ethoxy-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
CID 100031721
2-[(2R,6S)-2,6-Dimethylmorpholin-4-YL]-N-[3-(1,3-thiazol-2-YL)propyl]acetamide
CID 118763842
N-(2-oxo-2-piperidin-1-ylethyl)-4-(1,3-thiazol-2-yl)butanamide
CID 121526855
(2S)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129944
1-methyl-3-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 125437870
1-(2-methoxyethyl)-3-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 125527571

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide?
The IUPAC name of 4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide (CID 100057946) is 4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide is CC[C@@H](C1=NC=CS1)NC(=O)CCCN2CCOCC2.
What is the InChIKey of 4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide?
The InChIKey is LEDUHIQIUGROEB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-12(14-15-5-11-20-14)16-13(18)4-3-6-17-7-9-19-10-8-17/h5,11-12H,2-4,6-10H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of 4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide?
4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide has a molecular weight of 297.42 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide is sourced from PubChem (CID 100057946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).