2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde

C12H13N3O2S — CID 142244602

IUPAC2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde
SMILESNc1nc2c(C=O)ccc(N3CCOCC3)c2s1
InChIInChI=1S/C12H13N3O2S/c13-12-14-10-8(7-16)1-2-9(11(10)18-12)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H2,13,14)
InChIKeyBMETWYHNGUFXDS-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde

2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde (PubChem CID 142244602) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde
PubChem CID142244602
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde
SMILESNc1nc2c(C=O)ccc(N3CCOCC3)c2s1
InChIInChI=1S/C12H13N3O2S/c13-12-14-10-8(7-16)1-2-9(11(10)18-12)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H2,13,14)
InChIKeyBMETWYHNGUFXDS-UHFFFAOYSA-N
XLogP1.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-amine
CID 22283202
4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-amine;8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 172688901
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
4-(2-amino-4-methoxy-1,3-benzothiazol-7-yl)-1-methylpiperazin-2-one
CID 22015741
(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283121
6-(2-morpholin-4-ylethyl)imidazo[4,5-g][1,3]benzothiazol-2-amine
CID 3041841
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 22283227
6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 175832731
4-chloro-2-(1,4-oxazepan-4-yl)benzaldehyde
CID 114844265
iodo-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]methanol
CID 163815671
6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde
CID 143625885

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde?
The IUPAC name of 2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde (CID 142244602) is 2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde.
What is the SMILES notation for 2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde?
The canonical SMILES for 2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde is Nc1nc2c(C=O)ccc(N3CCOCC3)c2s1.
What is the InChIKey of 2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde?
The InChIKey is BMETWYHNGUFXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-12-14-10-8(7-16)1-2-9(11(10)18-12)15-3-5-17-6-4-15/h1-2,7H,3-6H2,(H2,13,14).
What are the key properties of 2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde?
2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde has a molecular weight of 263.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde is sourced from PubChem (CID 142244602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).