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

C14H25N3OS — CID 64977172

IUPAC2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCC(C)N(CCOC)c1nc2c(s1)CCCC2N
InChIInChI=1S/C14H25N3OS/c1-4-10(2)17(8-9-18-3)14-16-13-11(15)6-5-7-12(13)19-14/h10-11H,4-9,15H2,1-3H3
InChIKeyYOHXWFXOLZNTCX-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.73
Rot. Bonds6

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

2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977172) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977172
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCC(C)N(CCOC)c1nc2c(s1)CCCC2N
InChIInChI=1S/C14H25N3OS/c1-4-10(2)17(8-9-18-3)14-16-13-11(15)6-5-7-12(13)19-14/h10-11H,4-9,15H2,1-3H3
InChIKeyYOHXWFXOLZNTCX-UHFFFAOYSA-N
XLogP2.73
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977172) is 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CCC(C)N(CCOC)c1nc2c(s1)CCCC2N.
What is the InChIKey of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is YOHXWFXOLZNTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-10(2)17(8-9-18-3)14-16-13-11(15)6-5-7-12(13)19-14/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 283.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).