1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol

C14H20N4O4S2 — CID 154604273

IUPAC1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol
SMILESNCC(O)CNc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1
InChIInChI=1S/C14H20N4O4S2/c15-8-10(19)9-16-14-17-12-2-1-11(7-13(12)23-14)24(20,21)18-3-5-22-6-4-18/h1-2,7,10,19H,3-6,8-9,15H2,(H,16,17)
InChIKeyCMYCPGICGPSBSL-UHFFFAOYSA-N
MW372.47 g/mol
LogP0.05
Rot. Bonds6

About 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol

1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol (PubChem CID 154604273) has the molecular formula C14H20N4O4S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol
PubChem CID154604273
Molecular FormulaC14H20N4O4S2
Molecular Weight372.47 g/mol
Exact Mass372.09
IUPAC Name1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol
SMILESNCC(O)CNc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1
InChIInChI=1S/C14H20N4O4S2/c15-8-10(19)9-16-14-17-12-2-1-11(7-13(12)23-14)24(20,21)18-3-5-22-6-4-18/h1-2,7,10,19H,3-6,8-9,15H2,(H,16,17)
InChIKeyCMYCPGICGPSBSL-UHFFFAOYSA-N
XLogP0.05
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-[(5-methylsulfanylpyrimidin-2-yl)amino]-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol
CID 154653482
2-ethyl-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
CID 4057276
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 4219162
4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
CID 847943
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 4163586
(Z)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]-2-[[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]methyl]prop-2-en-1-ol
CID 155002957
ethyl 2-[[2-(3-morpholin-4-ylsulfonylphenyl)-2-oxoethyl]amino]-1,3-benzothiazole-6-carboxylate
CID 110829557
2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828458
N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 4107859
2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 26243825
2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 43853367
N'-(6-chloro-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzohydrazide
CID 18553490

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol?
The IUPAC name of 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol (CID 154604273) is 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol is NCC(O)CNc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1.
What is the InChIKey of 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol?
The InChIKey is CMYCPGICGPSBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S2/c15-8-10(19)9-16-14-17-12-2-1-11(7-13(12)23-14)24(20,21)18-3-5-22-6-4-18/h1-2,7,10,19H,3-6,8-9,15H2,(H,16,17).
What are the key properties of 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol?
1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol has a molecular weight of 372.47 g/mol, XLogP of 0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(6-morpholin-4-ylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-ol is sourced from PubChem (CID 154604273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).