6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine

C14H21N3OS — CID 145338632

IUPAC6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine
SMILESCC(C)N1Cc2cc(N)c(N3CCOCC3)cc2S1
InChIInChI=1S/C14H21N3OS/c1-10(2)17-9-11-7-12(15)13(8-14(11)19-17)16-3-5-18-6-4-16/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyRRCRZRDNZKBYLV-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.34
Rot. Bonds2

About 6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine

6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine (PubChem CID 145338632) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine
PubChem CID145338632
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine
SMILESCC(C)N1Cc2cc(N)c(N3CCOCC3)cc2S1
InChIInChI=1S/C14H21N3OS/c1-10(2)17-9-11-7-12(15)13(8-14(11)19-17)16-3-5-18-6-4-16/h7-8,10H,3-6,9,15H2,1-2H3
InChIKeyRRCRZRDNZKBYLV-UHFFFAOYSA-N
XLogP2.34
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine?
The IUPAC name of 6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine (CID 145338632) is 6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine.
What is the SMILES notation for 6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine?
The canonical SMILES for 6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine is CC(C)N1Cc2cc(N)c(N3CCOCC3)cc2S1.
What is the InChIKey of 6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine?
The InChIKey is RRCRZRDNZKBYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(2)17-9-11-7-12(15)13(8-14(11)19-17)16-3-5-18-6-4-16/h7-8,10H,3-6,9,15H2,1-2H3.
What are the key properties of 6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine?
6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine has a molecular weight of 279.41 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-propan-2-yl-3H-1,2-benzothiazol-5-amine is sourced from PubChem (CID 145338632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).