4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide

C18H25N3O2S — CID 37248589

IUPAC4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide
SMILESC[C@H](CNC(=O)CCCc1nc2ccccc2s1)N1CCOCC1
InChIInChI=1S/C18H25N3O2S/c1-14(21-9-11-23-12-10-21)13-19-17(22)7-4-8-18-20-15-5-2-3-6-16(15)24-18/h2-3,5-6,14H,4,7-13H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeySUWQOMIMZIOZFO-CQSZACIVSA-N
MW347.48 g/mol
LogP2.46
Rot. Bonds7

About 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide

4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide (PubChem CID 37248589) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide
PubChem CID37248589
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide
SMILESC[C@H](CNC(=O)CCCc1nc2ccccc2s1)N1CCOCC1
InChIInChI=1S/C18H25N3O2S/c1-14(21-9-11-23-12-10-21)13-19-17(22)7-4-8-18-20-15-5-2-3-6-16(15)24-18/h2-3,5-6,14H,4,7-13H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeySUWQOMIMZIOZFO-CQSZACIVSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pentanamide
CID 55454179
4-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 51155972
4-(1,3-benzothiazol-2-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27887204
5-(1,3-benzothiazol-2-yl)-N-(2-hydroxypropyl)pentanamide
CID 78822892
3-(1,3-benzothiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-N-(2-morpholin-4-ylpropyl)butanamide
CID 112820591
5-(1,3-benzothiazol-2-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pentanamide
CID 9481603
4-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-2-phenylethyl]butanamide
CID 3936263
4-(1,3-benzothiazol-2-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]butanamide
CID 46460635
1-[3-(1,3-benzothiazol-2-yl)propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021519
(2S)-3-[4-(1,3-benzothiazol-2-yl)butanoylamino]-2-phenylpropanoic acid
CID 97234535
4-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-3-phenylpropyl]butanamide
CID 51150499
4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
CID 2598266

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide (CID 37248589) is 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide is C[C@H](CNC(=O)CCCc1nc2ccccc2s1)N1CCOCC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide?
The InChIKey is SUWQOMIMZIOZFO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14(21-9-11-23-12-10-21)13-19-17(22)7-4-8-18-20-15-5-2-3-6-16(15)24-18/h2-3,5-6,14H,4,7-13H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide?
4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide has a molecular weight of 347.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-morpholin-4-ylpropyl]butanamide is sourced from PubChem (CID 37248589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).