2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

C14H25N3OS — CID 64977128

IUPAC2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCCNC1CCCc2sc(N(C)CCOC)nc21
InChIInChI=1S/C14H25N3OS/c1-4-8-15-11-6-5-7-12-13(11)16-14(19-12)17(2)9-10-18-3/h11,15H,4-10H2,1-3H3
InChIKeyHMHIFBTXVKQQPF-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.60
Rot. Bonds7

About 2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977128) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977128
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCCNC1CCCc2sc(N(C)CCOC)nc21
InChIInChI=1S/C14H25N3OS/c1-4-8-15-11-6-5-7-12-13(11)16-14(19-12)17(2)9-10-18-3/h11,15H,4-10H2,1-3H3
InChIKeyHMHIFBTXVKQQPF-UHFFFAOYSA-N
XLogP2.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977128) is 2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CCCNC1CCCc2sc(N(C)CCOC)nc21.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is HMHIFBTXVKQQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-8-15-11-6-5-7-12-13(11)16-14(19-12)17(2)9-10-18-3/h11,15H,4-10H2,1-3H3.
What are the key properties of 2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 283.44 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).