2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H16N4S — CID 63638088

IUPAC2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(Cc3nc4ccccc4[nH]3)sc21
InChIInChI=1S/C15H16N4S/c16-9-4-3-7-12-15(9)20-14(19-12)8-13-17-10-5-1-2-6-11(10)18-13/h1-2,5-6,9H,3-4,7-8,16H2,(H,17,18)
InChIKeyDDKMKAKWEZEHDH-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.95
Rot. Bonds2

About 2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 63638088) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID63638088
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESNC1CCCc2nc(Cc3nc4ccccc4[nH]3)sc21
InChIInChI=1S/C15H16N4S/c16-9-4-3-7-12-15(9)20-14(19-12)8-13-17-10-5-1-2-6-11(10)18-13/h1-2,5-6,9H,3-4,7-8,16H2,(H,17,18)
InChIKeyDDKMKAKWEZEHDH-UHFFFAOYSA-N
XLogP2.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 20982864
2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79413175
[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 63638262
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
ethyl 2-(1H-benzimidazol-2-ylmethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526183
2-(2-methylquinolin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79233270
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
CID 165348409
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63640322
2-[2-(1H-benzimidazol-2-ylmethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661491
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
4-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1,4-diamine
CID 79740858

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 63638088) is 2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is NC1CCCc2nc(Cc3nc4ccccc4[nH]3)sc21.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is DDKMKAKWEZEHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c16-9-4-3-7-12-15(9)20-14(19-12)8-13-17-10-5-1-2-6-11(10)18-13/h1-2,5-6,9H,3-4,7-8,16H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 284.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 63638088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).