2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

C16H30N4S — CID 103191884

IUPAC2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCCN(c1nc2c(s1)C(N)CC(C)(C)C2)C(C)CN(C)C
InChIInChI=1S/C16H30N4S/c1-7-20(11(2)10-19(5)6)15-18-13-9-16(3,4)8-12(17)14(13)21-15/h11-12H,7-10,17H2,1-6H3
InChIKeyWWWXXJLVFVVCOJ-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.89
Rot. Bonds5

About 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine

2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (PubChem CID 103191884) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.

Molecular Properties

Compound Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
PubChem CID103191884
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
SMILESCCN(c1nc2c(s1)C(N)CC(C)(C)C2)C(C)CN(C)C
InChIInChI=1S/C16H30N4S/c1-7-20(11(2)10-19(5)6)15-18-13-9-16(3,4)8-12(17)14(13)21-15/h11-12H,7-10,17H2,1-6H3
InChIKeyWWWXXJLVFVVCOJ-UHFFFAOYSA-N
XLogP2.89
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The IUPAC name of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine (CID 103191884) is 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine.
What is the SMILES notation for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The canonical SMILES for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is CCN(c1nc2c(s1)C(N)CC(C)(C)C2)C(C)CN(C)C.
What is the InChIKey of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
The InChIKey is WWWXXJLVFVVCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-7-20(11(2)10-19(5)6)15-18-13-9-16(3,4)8-12(17)14(13)21-15/h11-12H,7-10,17H2,1-6H3.
What are the key properties of 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine?
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine has a molecular weight of 310.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine is sourced from PubChem (CID 103191884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).