2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

C15H20N4S — CID 64977281

IUPAC2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCN(Cc1ccncc1)c1nc2c(s1)CCCC2N
InChIInChI=1S/C15H20N4S/c1-2-19(10-11-6-8-17-9-7-11)15-18-14-12(16)4-3-5-13(14)20-15/h6-9,12H,2-5,10,16H2,1H3
InChIKeyZFNGVIDRWZHFRN-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.90
Rot. Bonds4

About 2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977281) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977281
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCCN(Cc1ccncc1)c1nc2c(s1)CCCC2N
InChIInChI=1S/C15H20N4S/c1-2-19(10-11-6-8-17-9-7-11)15-18-14-12(16)4-3-5-13(14)20-15/h6-9,12H,2-5,10,16H2,1H3
InChIKeyZFNGVIDRWZHFRN-UHFFFAOYSA-N
XLogP2.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977281) is 2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CCN(Cc1ccncc1)c1nc2c(s1)CCCC2N.
What is the InChIKey of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is ZFNGVIDRWZHFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-19(10-11-6-8-17-9-7-11)15-18-14-12(16)4-3-5-13(14)20-15/h6-9,12H,2-5,10,16H2,1H3.
What are the key properties of 2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 288.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).