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

C13H24N4S — CID 64977684

IUPAC2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCN(C)CCCN(C)c1nc2c(s1)CCCC2N
InChIInChI=1S/C13H24N4S/c1-16(2)8-5-9-17(3)13-15-12-10(14)6-4-7-11(12)18-13/h10H,4-9,14H2,1-3H3
InChIKeyIPGUCDBYYSKUGJ-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.87
Rot. Bonds5

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

2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 64977684) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
PubChem CID64977684
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
SMILESCN(C)CCCN(C)c1nc2c(s1)CCCC2N
InChIInChI=1S/C13H24N4S/c1-16(2)8-5-9-17(3)13-15-12-10(14)6-4-7-11(12)18-13/h10H,4-9,14H2,1-3H3
InChIKeyIPGUCDBYYSKUGJ-UHFFFAOYSA-N
XLogP1.87
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 64977684) is 2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CN(C)CCCN(C)c1nc2c(s1)CCCC2N.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
The InChIKey is IPGUCDBYYSKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-16(2)8-5-9-17(3)13-15-12-10(14)6-4-7-11(12)18-13/h10H,4-9,14H2,1-3H3.
What are the key properties of 2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?
2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 268.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 64977684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).