(7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C16H24N4S — CID 164636307

IUPAC(7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)[C@@H](N(C)Cc1cncn1CC)CCC2
InChIInChI=1S/C16H24N4S/c1-4-15-18-13-7-6-8-14(16(13)21-15)19(3)10-12-9-17-11-20(12)5-2/h9,11,14H,4-8,10H2,1-3H3/t14-/m0/s1
InChIKeyUYYQIQRRGYVWHG-AWEZNQCLSA-N
MW304.46 g/mol
LogP3.43
Rot. Bonds5

About (7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

(7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 164636307) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is (7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name(7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID164636307
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name(7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)[C@@H](N(C)Cc1cncn1CC)CCC2
InChIInChI=1S/C16H24N4S/c1-4-15-18-13-7-6-8-14(16(13)21-15)19(3)10-12-9-17-11-20(12)5-2/h9,11,14H,4-8,10H2,1-3H3/t14-/m0/s1
InChIKeyUYYQIQRRGYVWHG-AWEZNQCLSA-N
XLogP3.43
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of (7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 164636307) is (7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for (7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for (7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCc1nc2c(s1)[C@@H](N(C)Cc1cncn1CC)CCC2.
What is the InChIKey of (7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is UYYQIQRRGYVWHG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-15-18-13-7-6-8-14(16(13)21-15)19(3)10-12-9-17-11-20(12)5-2/h9,11,14H,4-8,10H2,1-3H3/t14-/m0/s1.
What are the key properties of (7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
(7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 304.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 164636307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).