3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide

C11H17N3O4S — CID 171899934

IUPAC3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide
SMILESNC(=O)CC(O)C(O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C11H17N3O4S/c12-9(16)5-8(15)10(17)7-6-19-11(13-7)14-1-3-18-4-2-14/h6,8,10,15,17H,1-5H2,(H2,12,16)
InChIKeyDQKWQRIIJODQEV-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.75
Rot. Bonds5

About 3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide

3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide (PubChem CID 171899934) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide
PubChem CID171899934
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide
SMILESNC(=O)CC(O)C(O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C11H17N3O4S/c12-9(16)5-8(15)10(17)7-6-19-11(13-7)14-1-3-18-4-2-14/h6,8,10,15,17H,1-5H2,(H2,12,16)
InChIKeyDQKWQRIIJODQEV-UHFFFAOYSA-N
XLogP-0.75
TPSA108.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol
CID 171894560
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butyl]carbamate
CID 171887393
(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid
CID 66632378
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one
CID 143695893
2-amino-2-(2-piperidin-1-yl-1,3-thiazol-4-yl)acetic acid
CID 104527258
1-[2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanol
CID 64543603
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)oxan-4-amine
CID 114275536
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
4-[4-(5-bromo-2-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154769
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol
CID 170477281
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 64545360

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide (CID 171899934) is 3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide is NC(=O)CC(O)C(O)c1csc(N2CCOCC2)n1.
What is the InChIKey of 3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide?
The InChIKey is DQKWQRIIJODQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c12-9(16)5-8(15)10(17)7-6-19-11(13-7)14-1-3-18-4-2-14/h6,8,10,15,17H,1-5H2,(H2,12,16).
What are the key properties of 3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide?
3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide has a molecular weight of 287.34 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide is sourced from PubChem (CID 171899934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).